REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w40_1_C DATA FIRST_RESID 0 DATA SEQUENCE SMNVILSIDQ STQSTKVFFY DEELNIVHSN NLNHEQKCLK PGWYEHDPIE DATA SEQUENCE IMTNLYNLMN EGIKVLKDKY TSVIIKCIGI TNQRETVIIW DRITGKPLYN DATA SEQUENCE AIVWLDTRVE ELVTEFSAKY NNNDIQKKTG TYFNTYFSAF KILWLIQNNP DATA SEQUENCE EIKQKIDDGT AVIGNINTWL IFNLTKGNCY TDVTNASRTL LMDINTLQWD DATA SEQUENCE EKMCKIFNIT NMSVLPEIKS NCSNFGLVKS EHVPDYLNIP ITGCIGDQQS DATA SEQUENCE ACIGQAIFDE GEAKCTYGTG VFLLINTGEK VVYSTCGLIT TICYKFNDND DATA SEQUENCE KPKYALEGSI GTAGSGVSWL LKNKLIDDPS EASDIMEKCE NTTGVIFVPA DATA SEQUENCE FSGLYAPRWR SDARASIYGM TFNTERSHIV RALLEGIAFQ LNEIVDSLTS DATA SEQUENCE DMGIEMLHVL RCDGGMTKNK PFMQFNSDII NTKIEVSKYK EVTSLGAAVL DATA SEQUENCE AGLEVKIWDS LDSVKSLLRR SDAVFHSKMD DKKRKKKTSE WNKAVERTLI DATA SEQUENCE QL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.585 174.600 -0.025 0.000 1.055 0 S CA 0.000 58.215 58.200 0.026 0.000 1.107 0 S CB 0.000 63.204 63.200 0.007 0.000 0.593 1 M N 3.638 123.179 119.600 -0.098 0.000 2.197 1 M HA 0.570 5.050 4.480 -0.000 0.000 0.301 1 M C -1.605 174.599 176.300 -0.160 0.000 0.987 1 M CA -0.585 54.579 55.300 -0.226 0.000 0.921 1 M CB 0.944 33.146 32.600 -0.663 0.000 1.569 1 M HN 0.485 nan 8.290 nan 0.000 0.431 2 N N 3.423 122.060 118.700 -0.106 0.000 2.499 2 N HA 0.656 5.396 4.740 -0.000 0.000 0.281 2 N C -0.996 174.490 175.510 -0.040 0.000 1.098 2 N CA -0.255 52.755 53.050 -0.066 0.000 0.979 2 N CB 1.365 39.818 38.487 -0.057 0.000 1.121 2 N HN 0.597 nan 8.380 nan 0.000 0.466 3 V N -0.953 118.967 119.914 0.011 0.000 3.078 3 V HA 0.669 4.789 4.120 -0.000 0.000 0.311 3 V C -0.477 175.696 176.094 0.133 0.000 1.138 3 V CA -1.019 61.343 62.300 0.104 0.000 1.007 3 V CB 1.784 33.719 31.823 0.187 0.000 1.045 3 V HN 0.427 nan 8.190 nan 0.000 0.432 4 I N 3.050 123.733 120.570 0.188 0.000 2.378 4 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 4 I C -0.744 175.480 176.117 0.180 0.000 0.992 4 I CA -0.718 60.676 61.300 0.157 0.000 1.154 4 I CB 1.719 39.805 38.000 0.144 0.000 1.315 4 I HN 0.583 nan 8.210 nan 0.000 0.448 5 L N 6.426 127.701 121.223 0.085 0.000 2.265 5 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 5 L C -0.024 176.823 176.870 -0.038 0.000 1.058 5 L CA 0.493 55.257 54.840 -0.127 0.000 0.809 5 L CB 1.246 43.214 42.059 -0.153 0.000 1.179 5 L HN 0.575 nan 8.230 nan 0.000 0.429 6 S N 6.180 121.887 115.700 0.012 0.000 2.474 6 S HA 0.639 5.109 4.470 -0.000 0.000 0.321 6 S C -0.449 174.197 174.600 0.077 0.000 1.080 6 S CA -0.646 57.606 58.200 0.085 0.000 1.106 6 S CB 0.215 63.538 63.200 0.206 0.000 0.984 6 S HN 0.562 nan 8.310 nan 0.000 0.464 7 I N 4.073 124.649 120.570 0.009 0.000 2.336 7 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 7 I C -0.500 175.644 176.117 0.045 0.000 0.991 7 I CA -0.520 60.783 61.300 0.005 0.000 1.227 7 I CB 1.482 39.444 38.000 -0.064 0.000 1.366 7 I HN 0.540 nan 8.210 nan 0.000 0.466 8 D N 6.499 126.966 120.400 0.112 0.000 2.464 8 D HA 0.063 4.703 4.640 -0.000 0.000 0.243 8 D C -0.458 175.890 176.300 0.080 0.000 1.104 8 D CA -0.448 53.612 54.000 0.100 0.000 0.883 8 D CB 0.959 41.864 40.800 0.175 0.000 1.050 8 D HN 0.234 nan 8.370 nan 0.000 0.524 9 Q N 2.831 122.656 119.800 0.041 0.000 2.472 9 Q HA 0.202 4.542 4.340 -0.000 0.000 0.227 9 Q C -0.626 175.425 176.000 0.085 0.000 1.156 9 Q CA -0.023 55.803 55.803 0.038 0.000 0.924 9 Q CB 0.442 29.180 28.738 0.001 0.000 1.354 9 Q HN 0.421 nan 8.270 nan 0.000 0.525 10 S N 1.400 117.179 115.700 0.131 0.000 2.713 10 S HA 0.332 4.802 4.470 -0.000 0.000 0.277 10 S C 1.171 175.930 174.600 0.265 0.000 1.168 10 S CA -0.199 58.104 58.200 0.172 0.000 0.994 10 S CB 0.953 64.247 63.200 0.156 0.000 1.054 10 S HN 0.636 nan 8.310 nan 0.000 0.555 11 T N 2.011 116.757 114.554 0.320 0.000 2.708 11 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 11 T C 1.593 176.433 174.700 0.234 0.000 1.037 11 T CA 1.514 63.879 62.100 0.442 0.000 1.146 11 T CB -0.264 68.925 68.868 0.534 0.000 0.865 11 T HN 0.612 nan 8.240 nan 0.000 0.435 12 Q N 0.480 120.344 119.800 0.107 0.000 2.402 12 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 12 Q C 0.699 176.531 176.000 -0.281 0.000 0.919 12 Q CA 0.181 55.911 55.803 -0.122 0.000 0.923 12 Q CB 0.492 29.232 28.738 0.004 0.000 1.048 12 Q HN 0.525 nan 8.270 nan 0.000 0.515 13 S N -1.262 114.437 115.700 -0.003 0.000 2.588 13 S HA 0.448 4.918 4.470 -0.000 0.000 0.269 13 S C -0.785 173.925 174.600 0.182 0.000 1.157 13 S CA -0.921 57.338 58.200 0.097 0.000 0.824 13 S CB 2.070 65.294 63.200 0.040 0.000 1.126 13 S HN -0.111 nan 8.310 nan 0.000 0.464 14 T N 2.026 116.662 114.554 0.137 0.000 2.794 14 T HA 0.593 4.943 4.350 -0.000 0.000 0.280 14 T C -0.861 173.854 174.700 0.025 0.000 0.987 14 T CA -0.697 61.440 62.100 0.062 0.000 0.993 14 T CB 0.901 69.769 68.868 0.001 0.000 0.939 14 T HN 0.609 nan 8.240 nan 0.000 0.449 15 K N 1.804 122.220 120.400 0.028 0.000 2.324 15 K HA 0.713 5.033 4.320 -0.000 0.000 0.253 15 K C -0.781 175.770 176.600 -0.081 0.000 0.932 15 K CA -1.021 55.237 56.287 -0.048 0.000 0.799 15 K CB 2.230 34.805 32.500 0.124 0.000 1.154 15 K HN 0.467 nan 8.250 nan 0.000 0.425 16 V N -0.409 119.343 119.914 -0.270 0.000 2.540 16 V HA 0.679 4.799 4.120 -0.000 0.000 0.302 16 V C -1.185 174.601 176.094 -0.513 0.000 1.035 16 V CA -0.781 61.372 62.300 -0.245 0.000 0.873 16 V CB 0.656 32.405 31.823 -0.123 0.000 0.992 16 V HN 0.596 nan 8.190 nan 0.000 0.428 17 F N 4.084 123.921 119.950 -0.189 0.000 2.507 17 F HA 0.708 5.235 4.527 -0.000 0.000 0.328 17 F C -0.527 175.101 175.800 -0.287 0.000 1.136 17 F CA -0.583 57.310 58.000 -0.178 0.000 0.930 17 F CB 1.996 40.905 39.000 -0.152 0.000 1.166 17 F HN 0.440 nan 8.300 nan 0.000 0.436 18 F N 3.214 123.222 119.950 0.096 0.000 2.385 18 F HA 0.443 4.970 4.527 -0.000 0.000 0.360 18 F C -0.627 175.188 175.800 0.026 0.000 1.122 18 F CA -0.970 57.108 58.000 0.130 0.000 1.090 18 F CB 0.659 39.752 39.000 0.155 0.000 1.150 18 F HN 0.323 nan 8.300 nan 0.000 0.472 19 Y N 1.909 122.379 120.300 0.282 0.000 2.342 19 Y HA 0.263 4.813 4.550 -0.000 0.000 0.334 19 Y C 0.381 176.390 175.900 0.182 0.000 1.067 19 Y CA -1.242 56.991 58.100 0.222 0.000 1.128 19 Y CB 0.955 39.525 38.460 0.184 0.000 1.200 19 Y HN 0.580 nan 8.280 nan 0.000 0.464 20 D N 0.415 120.998 120.400 0.305 0.000 2.414 20 D HA 0.011 4.651 4.640 -0.000 0.000 0.251 20 D C 0.212 176.661 176.300 0.249 0.000 1.252 20 D CA -0.321 53.796 54.000 0.195 0.000 0.999 20 D CB 0.606 41.484 40.800 0.132 0.000 1.093 20 D HN 0.654 nan 8.370 nan 0.000 0.515 21 E N -1.138 119.172 120.200 0.184 0.000 2.511 21 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 21 E C 0.426 177.271 176.600 0.407 0.000 1.066 21 E CA 0.329 56.873 56.400 0.239 0.000 0.871 21 E CB 0.137 29.869 29.700 0.053 0.000 0.863 21 E HN 0.411 nan 8.360 nan 0.000 0.520 22 E N 0.314 120.692 120.200 0.296 0.000 2.465 22 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 22 E C 0.417 177.168 176.600 0.251 0.000 1.028 22 E CA -0.154 56.400 56.400 0.256 0.000 0.899 22 E CB 0.345 30.155 29.700 0.182 0.000 1.032 22 E HN 0.223 nan 8.360 nan 0.000 0.468 23 L N 0.484 121.896 121.223 0.316 0.000 3.865 23 L HA -0.286 4.054 4.340 -0.000 0.000 0.408 23 L C -0.589 176.565 176.870 0.473 0.000 1.209 23 L CA 0.315 55.353 54.840 0.329 0.000 0.940 23 L CB -2.217 39.888 42.059 0.076 0.000 1.971 23 L HN 0.159 nan 8.230 nan 0.000 0.899 24 N N 0.503 119.434 118.700 0.385 0.000 2.499 24 N HA 0.539 5.279 4.740 -0.000 0.000 0.281 24 N C 0.129 175.795 175.510 0.259 0.000 1.098 24 N CA -0.657 52.578 53.050 0.308 0.000 0.979 24 N CB 1.034 39.643 38.487 0.203 0.000 1.121 24 N HN 0.175 nan 8.380 nan 0.000 0.466 25 I N 2.455 123.102 120.570 0.129 0.000 2.505 25 I HA -0.058 4.112 4.170 -0.000 0.000 0.287 25 I C 1.461 177.628 176.117 0.084 0.000 1.104 25 I CA -0.217 61.058 61.300 -0.041 0.000 1.387 25 I CB 0.454 38.422 38.000 -0.054 0.000 1.404 25 I HN 0.533 nan 8.210 nan 0.000 0.528 26 V N 2.979 122.971 119.914 0.129 0.000 3.471 26 V HA 0.195 4.315 4.120 -0.000 0.000 0.258 26 V C 0.578 176.820 176.094 0.246 0.000 1.192 26 V CA 0.641 63.056 62.300 0.192 0.000 1.116 26 V CB -0.456 31.478 31.823 0.185 0.000 0.792 26 V HN 0.859 nan 8.190 nan 0.000 0.459 27 H N 0.460 119.610 119.070 0.133 0.000 3.094 27 H HA 0.609 5.165 4.556 -0.000 0.000 0.346 27 H C -1.696 173.728 175.328 0.159 0.000 1.238 27 H CA 0.447 56.559 56.048 0.106 0.000 1.209 27 H CB 2.290 32.051 29.762 -0.001 0.000 1.911 27 H HN 0.465 nan 8.280 nan 0.000 0.540 28 S N 4.268 119.567 115.700 -0.669 0.000 2.570 28 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 28 S C -1.414 172.778 174.600 -0.681 0.000 1.149 28 S CA -0.924 56.913 58.200 -0.606 0.000 0.837 28 S CB 2.820 65.692 63.200 -0.546 0.000 1.124 28 S HN 0.766 nan 8.310 nan 0.000 0.465 29 N N 0.410 118.819 118.700 -0.484 0.000 3.227 29 N HA 0.544 5.283 4.740 -0.000 0.000 0.241 29 N C -2.313 173.069 175.510 -0.213 0.000 1.480 29 N CA -0.318 52.575 53.050 -0.263 0.000 0.886 29 N CB 1.935 40.363 38.487 -0.098 0.000 1.406 29 N HN 1.038 nan 8.380 nan 0.000 0.514 30 N N 0.495 119.129 118.700 -0.109 0.000 2.710 30 N HA 0.453 5.193 4.740 -0.000 0.000 0.257 30 N C -1.960 173.540 175.510 -0.018 0.000 1.327 30 N CA -0.405 52.608 53.050 -0.062 0.000 0.861 30 N CB 1.201 39.655 38.487 -0.056 0.000 1.532 30 N HN 0.458 nan 8.380 nan 0.000 0.499 31 L N 1.062 122.288 121.223 0.006 0.000 2.436 31 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 31 L C -0.497 176.398 176.870 0.041 0.000 0.974 31 L CA -0.968 53.884 54.840 0.020 0.000 0.826 31 L CB 1.945 44.018 42.059 0.024 0.000 1.291 31 L HN 0.494 nan 8.230 nan 0.000 0.406 32 N N 1.900 120.609 118.700 0.014 0.000 2.444 32 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 32 N C -0.741 174.782 175.510 0.020 0.000 1.255 32 N CA -0.157 52.877 53.050 -0.026 0.000 0.933 32 N CB 0.500 38.952 38.487 -0.059 0.000 1.143 32 N HN 0.551 nan 8.380 nan 0.000 0.453 33 H N -2.106 116.933 119.070 -0.053 0.000 2.865 33 H HA 0.350 4.906 4.556 -0.000 0.000 0.372 33 H C -0.768 174.536 175.328 -0.040 0.000 1.173 33 H CA -0.786 55.225 56.048 -0.061 0.000 1.147 33 H CB 0.991 30.690 29.762 -0.105 0.000 1.805 33 H HN 0.467 nan 8.280 nan 0.000 0.553 34 E N 1.173 121.400 120.200 0.046 0.000 2.415 34 E HA -0.030 4.320 4.350 -0.000 0.000 0.263 34 E C -0.570 176.073 176.600 0.071 0.000 0.995 34 E CA -0.350 56.062 56.400 0.019 0.000 0.915 34 E CB 0.544 30.270 29.700 0.043 0.000 0.951 34 E HN 0.366 nan 8.360 nan 0.000 0.449 35 Q N 3.957 123.755 119.800 -0.002 0.000 2.421 35 Q HA 0.185 4.525 4.340 -0.000 0.000 0.242 35 Q C -0.917 174.974 176.000 -0.181 0.000 1.024 35 Q CA -0.093 55.705 55.803 -0.008 0.000 0.891 35 Q CB 0.884 29.561 28.738 -0.102 0.000 1.222 35 Q HN 0.310 nan 8.270 nan 0.000 0.483 36 K N 1.685 122.024 120.400 -0.102 0.000 2.284 36 K HA 0.321 4.641 4.320 -0.000 0.000 0.287 36 K C -0.541 175.946 176.600 -0.189 0.000 1.081 36 K CA -0.166 56.062 56.287 -0.099 0.000 0.910 36 K CB 0.599 33.103 32.500 0.006 0.000 1.088 36 K HN 0.508 nan 8.250 nan 0.000 0.478 37 C N 4.851 124.043 119.300 -0.181 0.000 3.003 37 C HA 0.252 4.712 4.460 -0.000 0.000 0.241 37 C C 1.346 176.313 174.990 -0.038 0.000 1.224 37 C CA -0.744 58.198 59.018 -0.127 0.000 1.560 37 C CB -0.863 26.749 27.740 -0.213 0.000 1.768 37 C HN 0.903 nan 8.230 nan 0.000 0.440 38 L N 0.618 121.848 121.223 0.011 0.000 2.509 38 L HA 0.168 4.508 4.340 -0.000 0.000 0.222 38 L C 0.707 177.481 176.870 -0.160 0.000 1.123 38 L CA 1.110 55.917 54.840 -0.054 0.000 0.856 38 L CB -0.134 41.908 42.059 -0.027 0.000 0.985 38 L HN 0.574 nan 8.230 nan 0.000 0.456 39 K N -0.789 119.491 120.400 -0.200 0.000 2.536 39 K HA 0.407 4.727 4.320 -0.000 0.000 0.269 39 K C -2.641 173.896 176.600 -0.105 0.000 0.965 39 K CA -1.889 54.212 56.287 -0.310 0.000 0.860 39 K CB 1.556 33.552 32.500 -0.840 0.000 1.423 39 K HN -0.360 nan 8.250 nan 0.000 0.438 40 P HA -0.014 nan 4.420 nan 0.000 0.260 40 P C 0.484 177.881 177.300 0.162 0.000 1.185 40 P CA 1.150 64.287 63.100 0.062 0.000 0.763 40 P CB 0.350 32.078 31.700 0.047 0.000 0.776 41 G N 1.239 110.162 108.800 0.205 0.000 2.213 41 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.236 41 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.236 41 G C -0.440 174.658 174.900 0.329 0.000 0.991 41 G CA -0.686 44.561 45.100 0.246 0.000 0.629 41 G HN 0.334 nan 8.290 nan 0.000 0.517 42 W N 0.337 121.636 121.300 -0.001 0.000 2.316 42 W HA 0.779 5.439 4.660 -0.000 0.000 0.321 42 W C -0.001 176.537 176.519 0.032 0.000 1.203 42 W CA -0.940 56.392 57.345 -0.023 0.000 1.214 42 W CB 0.338 29.775 29.460 -0.038 0.000 1.169 42 W HN 0.134 nan 8.180 nan 0.000 0.561 43 Y N 2.193 122.502 120.300 0.014 0.000 2.298 43 Y HA 0.274 4.824 4.550 -0.000 0.000 0.322 43 Y C -0.416 175.392 175.900 -0.155 0.000 1.138 43 Y CA -0.655 57.404 58.100 -0.068 0.000 1.127 43 Y CB 1.128 39.502 38.460 -0.144 0.000 1.178 43 Y HN 0.437 nan 8.280 nan 0.000 0.428 44 E N 3.469 123.746 120.200 0.129 0.000 2.369 44 E HA 0.422 4.772 4.350 -0.000 0.000 0.270 44 E C -1.529 175.112 176.600 0.070 0.000 0.909 44 E CA -1.127 55.292 56.400 0.032 0.000 0.775 44 E CB 2.714 32.437 29.700 0.038 0.000 1.270 44 E HN 0.621 nan 8.360 nan 0.000 0.445 45 H N -0.206 118.934 119.070 0.116 0.000 2.679 45 H HA 0.193 4.749 4.556 -0.000 0.000 0.367 45 H C -1.063 174.267 175.328 0.004 0.000 1.162 45 H CA -1.071 55.049 56.048 0.120 0.000 1.181 45 H CB 1.762 31.613 29.762 0.149 0.000 1.693 45 H HN 0.337 nan 8.280 nan 0.000 0.538 46 D N 2.764 123.248 120.400 0.139 0.000 2.339 46 D HA 0.069 4.709 4.640 -0.000 0.000 0.241 46 D C -1.801 174.487 176.300 -0.020 0.000 1.183 46 D CA -2.397 51.616 54.000 0.022 0.000 0.859 46 D CB 1.388 42.208 40.800 0.032 0.000 1.067 46 D HN 0.284 nan 8.370 nan 0.000 0.484 47 P HA -0.022 nan 4.420 nan 0.000 0.221 47 P C 1.592 179.004 177.300 0.187 0.000 1.150 47 P CA 0.682 63.702 63.100 -0.132 0.000 0.800 47 P CB 0.404 31.671 31.700 -0.722 0.000 0.787 48 I N -0.331 120.316 120.570 0.129 0.000 2.406 48 I HA -0.150 4.020 4.170 -0.000 0.000 0.249 48 I C 2.576 178.717 176.117 0.039 0.000 1.122 48 I CA 1.126 62.509 61.300 0.138 0.000 1.431 48 I CB -0.502 37.563 38.000 0.108 0.000 1.087 48 I HN -0.001 nan 8.210 nan 0.000 0.424 49 E N 1.803 122.013 120.200 0.017 0.000 2.051 49 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 49 E C 2.352 178.917 176.600 -0.058 0.000 0.991 49 E CA 1.447 57.842 56.400 -0.007 0.000 0.799 49 E CB -0.013 29.698 29.700 0.020 0.000 0.748 49 E HN 0.432 nan 8.360 nan 0.000 0.449 50 I N 0.614 121.119 120.570 -0.109 0.000 2.118 50 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 50 I C 2.614 178.623 176.117 -0.180 0.000 1.070 50 I CA 1.014 62.196 61.300 -0.197 0.000 1.327 50 I CB -0.287 37.569 38.000 -0.240 0.000 1.034 50 I HN 0.288 nan 8.210 nan 0.000 0.405 51 M N -0.068 119.434 119.600 -0.165 0.000 2.080 51 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 51 M C 2.473 178.466 176.300 -0.512 0.000 1.068 51 M CA 1.980 57.007 55.300 -0.455 0.000 1.109 51 M CB -1.676 30.633 32.600 -0.485 0.000 1.342 51 M HN 0.243 nan 8.290 nan 0.000 0.405 52 T N 1.160 115.580 114.554 -0.223 0.000 2.684 52 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 52 T C 1.671 176.329 174.700 -0.071 0.000 1.036 52 T CA 1.602 63.646 62.100 -0.092 0.000 1.148 52 T CB -0.332 68.515 68.868 -0.035 0.000 0.863 52 T HN 0.299 nan 8.240 nan 0.000 0.436 53 N N 1.097 119.747 118.700 -0.085 0.000 2.104 53 N HA -0.041 4.699 4.740 -0.000 0.000 0.190 53 N C 1.703 177.172 175.510 -0.068 0.000 1.024 53 N CA 0.638 53.659 53.050 -0.048 0.000 0.853 53 N CB -0.743 37.724 38.487 -0.033 0.000 1.008 53 N HN 0.201 nan 8.380 nan 0.000 0.424 54 L N 0.270 121.394 121.223 -0.166 0.000 1.989 54 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 54 L C 1.770 178.581 176.870 -0.098 0.000 1.071 54 L CA 1.682 56.409 54.840 -0.187 0.000 0.749 54 L CB -0.996 40.866 42.059 -0.329 0.000 0.890 54 L HN 0.119 nan 8.230 nan 0.000 0.431 55 Y N 0.196 120.446 120.300 -0.084 0.000 2.165 55 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 55 Y C 2.657 178.551 175.900 -0.010 0.000 1.155 55 Y CA 1.383 59.445 58.100 -0.063 0.000 1.164 55 Y CB -1.202 37.215 38.460 -0.072 0.000 0.978 55 Y HN 0.355 nan 8.280 nan 0.000 0.513 56 N N -0.008 118.782 118.700 0.150 0.000 2.166 56 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 56 N C 1.975 177.552 175.510 0.110 0.000 1.019 56 N CA 1.078 54.194 53.050 0.109 0.000 0.856 56 N CB -0.597 37.933 38.487 0.073 0.000 0.993 56 N HN 0.326 nan 8.380 nan 0.000 0.426 57 L N 0.254 121.533 121.223 0.094 0.000 2.072 57 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 57 L C 2.346 179.342 176.870 0.209 0.000 1.079 57 L CA 0.747 55.660 54.840 0.122 0.000 0.752 57 L CB -0.247 41.851 42.059 0.065 0.000 0.906 57 L HN 0.126 nan 8.230 nan 0.000 0.436 58 M N -0.488 119.213 119.600 0.168 0.000 2.108 58 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 58 M C 1.967 178.506 176.300 0.398 0.000 1.066 58 M CA 1.639 57.076 55.300 0.229 0.000 1.107 58 M CB -0.467 32.042 32.600 -0.151 0.000 1.356 58 M HN 0.280 nan 8.290 nan 0.000 0.406 59 N N 0.587 119.452 118.700 0.274 0.000 2.171 59 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 59 N C 1.538 177.131 175.510 0.138 0.000 1.021 59 N CA 1.720 54.911 53.050 0.236 0.000 0.854 59 N CB -0.428 38.157 38.487 0.164 0.000 0.994 59 N HN 0.546 nan 8.380 nan 0.000 0.426 60 E N -0.073 120.198 120.200 0.118 0.000 2.110 60 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 60 E C 2.029 178.598 176.600 -0.053 0.000 0.988 60 E CA 1.479 57.908 56.400 0.048 0.000 0.804 60 E CB -0.829 28.923 29.700 0.086 0.000 0.745 60 E HN 0.234 nan 8.360 nan 0.000 0.458 61 G N 0.912 109.718 108.800 0.011 0.000 2.402 61 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 61 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 61 G C 1.568 176.117 174.900 -0.585 0.000 1.162 61 G CA 0.787 45.678 45.100 -0.349 0.000 0.777 61 G HN 0.270 nan 8.290 nan 0.000 0.539 62 I N 0.698 121.130 120.570 -0.231 0.000 2.439 62 I HA 0.034 4.204 4.170 -0.000 0.000 0.251 62 I C 2.486 178.476 176.117 -0.212 0.000 1.139 62 I CA 1.104 62.252 61.300 -0.254 0.000 1.438 62 I CB -0.225 37.668 38.000 -0.178 0.000 1.085 62 I HN 0.125 nan 8.210 nan 0.000 0.427 63 K N 0.005 120.313 120.400 -0.153 0.000 2.026 63 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 63 K C 2.026 178.528 176.600 -0.163 0.000 1.048 63 K CA 1.946 58.159 56.287 -0.123 0.000 0.929 63 K CB -0.184 32.271 32.500 -0.075 0.000 0.713 63 K HN 0.239 nan 8.250 nan 0.000 0.439 64 V N 1.938 121.699 119.914 -0.255 0.000 2.295 64 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 64 V C 2.413 178.371 176.094 -0.226 0.000 1.049 64 V CA 1.607 63.743 62.300 -0.274 0.000 1.024 64 V CB -0.332 31.204 31.823 -0.478 0.000 0.648 64 V HN 0.321 nan 8.190 nan 0.000 0.447 65 L N -0.644 120.411 121.223 -0.279 0.000 2.046 65 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 65 L C 2.548 179.429 176.870 0.018 0.000 1.077 65 L CA 1.699 56.489 54.840 -0.083 0.000 0.747 65 L CB -0.547 41.387 42.059 -0.209 0.000 0.896 65 L HN 0.274 nan 8.230 nan 0.000 0.432 66 K N -0.367 119.990 120.400 -0.072 0.000 2.155 66 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 66 K C 1.626 178.199 176.600 -0.045 0.000 1.052 66 K CA 1.047 57.309 56.287 -0.041 0.000 0.948 66 K CB -0.063 32.397 32.500 -0.067 0.000 0.728 66 K HN 0.242 nan 8.250 nan 0.000 0.448 67 D N 1.090 121.445 120.400 -0.076 0.000 2.097 67 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 67 D C 1.662 177.888 176.300 -0.124 0.000 0.989 67 D CA 1.312 55.260 54.000 -0.087 0.000 0.827 67 D CB 0.015 40.761 40.800 -0.090 0.000 0.966 67 D HN 0.136 nan 8.370 nan 0.000 0.456 68 K N -0.772 119.517 120.400 -0.185 0.000 2.062 68 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 68 K C 0.318 176.599 176.600 -0.531 0.000 1.051 68 K CA 0.746 56.783 56.287 -0.417 0.000 0.941 68 K CB 0.043 32.151 32.500 -0.653 0.000 0.719 68 K HN 0.223 nan 8.250 nan 0.000 0.440 69 Y N -0.904 119.364 120.300 -0.053 0.000 2.528 69 Y HA 0.062 4.612 4.550 -0.000 0.000 0.335 69 Y C 1.702 177.577 175.900 -0.041 0.000 1.093 69 Y CA -0.622 57.454 58.100 -0.040 0.000 1.134 69 Y CB 1.512 39.948 38.460 -0.039 0.000 1.253 69 Y HN -0.209 nan 8.280 nan 0.000 0.478 70 T N -0.421 114.221 114.554 0.145 0.000 2.851 70 T HA 0.022 4.372 4.350 -0.000 0.000 0.262 70 T C 0.314 175.039 174.700 0.042 0.000 1.043 70 T CA 1.258 63.394 62.100 0.060 0.000 1.140 70 T CB -0.279 68.614 68.868 0.042 0.000 0.872 70 T HN 0.633 nan 8.240 nan 0.000 0.446 71 S N -0.384 115.345 115.700 0.048 0.000 2.588 71 S HA 0.717 5.187 4.470 -0.000 0.000 0.275 71 S C -1.342 173.259 174.600 0.002 0.000 1.130 71 S CA -0.888 57.319 58.200 0.012 0.000 0.855 71 S CB 2.196 65.394 63.200 -0.005 0.000 1.116 71 S HN 0.051 nan 8.310 nan 0.000 0.472 72 V N 2.011 121.906 119.914 -0.032 0.000 2.487 72 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 72 V C -0.744 175.309 176.094 -0.068 0.000 1.028 72 V CA -0.616 61.642 62.300 -0.069 0.000 0.860 72 V CB 1.285 33.056 31.823 -0.087 0.000 0.991 72 V HN 0.891 nan 8.190 nan 0.000 0.427 73 I N 5.636 126.168 120.570 -0.063 0.000 2.355 73 I HA 0.441 4.611 4.170 -0.000 0.000 0.288 73 I C -0.353 175.750 176.117 -0.024 0.000 0.999 73 I CA -0.310 60.962 61.300 -0.047 0.000 1.163 73 I CB 1.510 39.484 38.000 -0.043 0.000 1.316 73 I HN 0.455 nan 8.210 nan 0.000 0.454 74 I N 7.425 127.988 120.570 -0.012 0.000 2.322 74 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 74 I C 1.245 177.383 176.117 0.035 0.000 1.060 74 I CA -0.406 60.925 61.300 0.051 0.000 1.309 74 I CB 0.630 38.682 38.000 0.086 0.000 1.415 74 I HN 0.553 nan 8.210 nan 0.000 0.492 75 K N 4.708 125.122 120.400 0.022 0.000 2.116 75 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 75 K C 0.426 177.027 176.600 0.002 0.000 1.052 75 K CA 0.750 57.028 56.287 -0.014 0.000 0.952 75 K CB -0.042 32.421 32.500 -0.061 0.000 0.729 75 K HN 0.857 nan 8.250 nan 0.000 0.446 76 C N -2.061 117.256 119.300 0.029 0.000 3.259 76 C HA 0.629 5.089 4.460 -0.000 0.000 0.344 76 C C -1.053 173.972 174.990 0.059 0.000 1.401 76 C CA -1.591 57.449 59.018 0.036 0.000 1.219 76 C CB 0.709 28.450 27.740 0.002 0.000 1.521 76 C HN 0.112 nan 8.230 nan 0.000 0.455 77 I N 1.399 121.999 120.570 0.050 0.000 2.466 77 I HA 0.653 4.823 4.170 -0.000 0.000 0.289 77 I C 0.501 176.616 176.117 -0.003 0.000 1.026 77 I CA -0.202 61.116 61.300 0.029 0.000 1.078 77 I CB 2.032 40.050 38.000 0.029 0.000 1.249 77 I HN 1.083 nan 8.210 nan 0.000 0.429 78 G N 6.545 115.330 108.800 -0.025 0.000 2.416 78 G HA2 0.798 4.758 3.960 -0.000 0.000 0.329 78 G HA3 0.798 4.758 3.960 -0.000 0.000 0.329 78 G C -0.914 173.934 174.900 -0.087 0.000 1.173 78 G CA -0.464 44.597 45.100 -0.065 0.000 0.929 78 G HN 0.462 nan 8.290 nan 0.000 0.475 79 I N 0.933 121.419 120.570 -0.141 0.000 2.433 79 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 79 I C 0.020 176.058 176.117 -0.132 0.000 1.001 79 I CA -0.492 60.726 61.300 -0.136 0.000 1.119 79 I CB 2.545 40.438 38.000 -0.179 0.000 1.289 79 I HN 0.462 nan 8.210 nan 0.000 0.438 80 T N 5.658 120.161 114.554 -0.084 0.000 2.896 80 T HA 0.593 4.943 4.350 -0.000 0.000 0.297 80 T C -1.655 173.016 174.700 -0.047 0.000 1.108 80 T CA -0.662 61.391 62.100 -0.078 0.000 1.004 80 T CB 1.536 70.356 68.868 -0.079 0.000 1.159 80 T HN 0.850 nan 8.240 nan 0.000 0.499 81 N N 1.564 120.232 118.700 -0.053 0.000 2.745 81 N HA 0.171 4.911 4.740 -0.000 0.000 0.256 81 N C -1.363 174.119 175.510 -0.047 0.000 1.268 81 N CA -0.859 52.178 53.050 -0.022 0.000 0.887 81 N CB 1.356 39.839 38.487 -0.007 0.000 1.575 81 N HN 0.807 nan 8.380 nan 0.000 0.496 82 Q N 0.944 120.749 119.800 0.008 0.000 2.269 82 Q HA 0.129 4.469 4.340 -0.000 0.000 0.300 82 Q C -0.372 175.592 176.000 -0.059 0.000 1.070 82 Q CA 0.248 56.046 55.803 -0.009 0.000 0.957 82 Q CB 0.650 29.530 28.738 0.236 0.000 1.131 82 Q HN 0.393 nan 8.270 nan 0.000 0.377 83 R N 2.009 122.366 120.500 -0.237 0.000 2.580 83 R HA 0.127 4.467 4.340 -0.000 0.000 0.267 83 R C 0.112 176.316 176.300 -0.160 0.000 1.125 83 R CA -0.278 55.676 56.100 -0.242 0.000 1.188 83 R CB 0.404 30.477 30.300 -0.377 0.000 1.155 83 R HN 0.907 nan 8.270 nan 0.000 0.586 84 E N -1.598 118.482 120.200 -0.199 0.000 5.150 84 E HA -0.237 4.113 4.350 -0.000 0.000 0.167 84 E C -0.391 176.219 176.600 0.015 0.000 1.196 84 E CA 2.186 58.495 56.400 -0.153 0.000 2.189 84 E CB -1.450 28.156 29.700 -0.157 0.000 1.820 84 E HN 0.662 nan 8.360 nan 0.000 0.420 85 T N 1.231 115.856 114.554 0.119 0.000 2.891 85 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 85 T C -0.018 174.713 174.700 0.053 0.000 1.025 85 T CA 0.760 62.929 62.100 0.115 0.000 1.149 85 T CB 0.854 69.833 68.868 0.186 0.000 1.007 85 T HN 0.181 nan 8.240 nan 0.000 0.528 86 V N 5.045 124.972 119.914 0.021 0.000 2.789 86 V HA 0.727 4.847 4.120 -0.000 0.000 0.311 86 V C -1.088 175.007 176.094 0.002 0.000 1.073 86 V CA -0.873 61.433 62.300 0.010 0.000 0.921 86 V CB 1.724 33.531 31.823 -0.027 0.000 1.009 86 V HN 0.810 nan 8.190 nan 0.000 0.426 87 I N 6.453 127.043 120.570 0.034 0.000 2.647 87 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 87 I C -0.791 175.398 176.117 0.119 0.000 1.078 87 I CA -0.491 60.823 61.300 0.022 0.000 1.048 87 I CB 2.212 40.083 38.000 -0.215 0.000 1.239 87 I HN 0.407 nan 8.210 nan 0.000 0.421 88 I N 4.781 125.392 120.570 0.068 0.000 2.406 88 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 88 I C -1.132 175.049 176.117 0.107 0.000 0.999 88 I CA -0.458 60.819 61.300 -0.039 0.000 1.124 88 I CB 1.170 39.120 38.000 -0.083 0.000 1.289 88 I HN 0.654 nan 8.210 nan 0.000 0.441 89 W N 4.085 125.310 121.300 -0.126 0.000 2.975 89 W HA 0.588 5.248 4.660 -0.000 0.000 0.342 89 W C -1.041 175.445 176.519 -0.055 0.000 1.168 89 W CA -1.135 56.157 57.345 -0.088 0.000 1.141 89 W CB 0.367 29.789 29.460 -0.064 0.000 1.445 89 W HN 0.337 nan 8.180 nan 0.000 0.560 90 D N 1.378 121.935 120.400 0.261 0.000 2.383 90 D HA 0.091 4.731 4.640 -0.000 0.000 0.252 90 D C 1.411 177.864 176.300 0.254 0.000 1.166 90 D CA 0.065 54.167 54.000 0.170 0.000 0.879 90 D CB 1.262 42.169 40.800 0.180 0.000 1.164 90 D HN 0.553 nan 8.370 nan 0.000 0.462 91 R N 3.773 124.351 120.500 0.130 0.000 2.081 91 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 91 R C 1.570 178.097 176.300 0.379 0.000 1.131 91 R CA 0.975 57.220 56.100 0.241 0.000 0.960 91 R CB 0.011 30.382 30.300 0.118 0.000 0.856 91 R HN 0.570 nan 8.270 nan 0.000 0.436 92 I N 0.446 121.161 120.570 0.241 0.000 2.333 92 I HA -0.161 4.008 4.170 -0.000 0.000 0.246 92 I C 2.365 178.616 176.117 0.223 0.000 1.106 92 I CA 1.784 63.204 61.300 0.200 0.000 1.411 92 I CB -1.252 36.823 38.000 0.125 0.000 1.082 92 I HN 0.359 nan 8.210 nan 0.000 0.420 93 T N -2.251 112.443 114.554 0.233 0.000 3.057 93 T HA 0.210 4.560 4.350 -0.000 0.000 0.254 93 T C 1.665 176.549 174.700 0.306 0.000 1.094 93 T CA 0.765 62.998 62.100 0.222 0.000 1.088 93 T CB 0.224 69.196 68.868 0.174 0.000 0.934 93 T HN 0.455 nan 8.240 nan 0.000 0.497 94 G N 1.559 110.631 108.800 0.453 0.000 2.184 94 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 94 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 94 G C 0.028 175.155 174.900 0.378 0.000 0.975 94 G CA 0.382 45.785 45.100 0.506 0.000 0.642 94 G HN 0.817 nan 8.290 nan 0.000 0.536 95 K N 1.489 122.078 120.400 0.314 0.000 2.412 95 K HA 0.363 4.683 4.320 -0.000 0.000 0.284 95 K C -2.131 174.619 176.600 0.250 0.000 1.046 95 K CA -1.514 54.922 56.287 0.248 0.000 0.999 95 K CB 0.595 33.204 32.500 0.181 0.000 0.941 95 K HN 0.058 nan 8.250 nan 0.000 0.474 96 P HA -0.037 nan 4.420 nan 0.000 0.268 96 P C -0.023 177.337 177.300 0.099 0.000 1.205 96 P CA 0.191 63.333 63.100 0.070 0.000 0.771 96 P CB 0.575 32.205 31.700 -0.117 0.000 0.858 97 L N 1.419 122.714 121.223 0.120 0.000 2.529 97 L HA 0.194 4.534 4.340 -0.000 0.000 0.223 97 L C 0.352 177.343 176.870 0.202 0.000 1.113 97 L CA 0.587 55.505 54.840 0.130 0.000 0.861 97 L CB -0.170 41.949 42.059 0.101 0.000 1.012 97 L HN 0.426 nan 8.230 nan 0.000 0.461 98 Y N -0.985 119.321 120.300 0.010 0.000 2.677 98 Y HA 0.250 4.800 4.550 -0.000 0.000 0.334 98 Y C -0.348 175.535 175.900 -0.029 0.000 1.196 98 Y CA -1.537 56.574 58.100 0.017 0.000 1.059 98 Y CB 0.989 39.475 38.460 0.043 0.000 1.315 98 Y HN -0.098 nan 8.280 nan 0.000 0.455 99 N N 1.269 119.672 118.700 -0.495 0.000 2.307 99 N HA 0.359 5.099 4.740 -0.000 0.000 0.230 99 N C -0.728 174.757 175.510 -0.040 0.000 1.297 99 N CA 0.387 53.278 53.050 -0.264 0.000 0.884 99 N CB 0.386 38.680 38.487 -0.322 0.000 1.115 99 N HN 0.686 nan 8.380 nan 0.000 0.436 100 A N 1.394 124.166 122.820 -0.081 0.000 2.511 100 A HA 0.175 4.495 4.320 -0.000 0.000 0.242 100 A C 0.040 177.619 177.584 -0.009 0.000 1.069 100 A CA 0.112 52.122 52.037 -0.046 0.000 0.763 100 A CB -0.199 18.775 19.000 -0.044 0.000 1.001 100 A HN 0.537 nan 8.150 nan 0.000 0.498 101 I N 3.633 124.198 120.570 -0.008 0.000 2.312 101 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 101 I C -0.066 176.000 176.117 -0.085 0.000 1.008 101 I CA -0.533 60.727 61.300 -0.067 0.000 1.226 101 I CB 1.308 39.234 38.000 -0.124 0.000 1.371 101 I HN 0.342 nan 8.210 nan 0.000 0.468 102 V N 6.336 126.154 119.914 -0.161 0.000 3.003 102 V HA 0.011 4.131 4.120 -0.000 0.000 0.305 102 V C 1.261 177.283 176.094 -0.120 0.000 1.078 102 V CA -0.348 61.806 62.300 -0.244 0.000 1.083 102 V CB 1.053 32.493 31.823 -0.638 0.000 1.039 102 V HN 0.942 nan 8.190 nan 0.000 0.481 103 W N 1.786 123.054 121.300 -0.054 0.000 2.325 103 W HA -0.182 4.478 4.660 -0.000 0.000 0.299 103 W C 1.261 177.897 176.519 0.195 0.000 1.215 103 W CA 1.017 58.446 57.345 0.140 0.000 1.244 103 W CB -0.876 28.718 29.460 0.223 0.000 1.140 103 W HN 0.460 nan 8.180 nan 0.000 0.523 104 L N 1.202 122.023 121.223 -0.671 0.000 2.456 104 L HA -0.035 4.305 4.340 -0.000 0.000 0.224 104 L C 1.356 178.117 176.870 -0.181 0.000 1.148 104 L CA 0.805 55.255 54.840 -0.650 0.000 0.825 104 L CB -0.913 40.322 42.059 -1.372 0.000 0.937 104 L HN -0.108 nan 8.230 nan 0.000 0.450 105 D N 0.444 120.770 120.400 -0.124 0.000 2.414 105 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 105 D C 0.547 176.853 176.300 0.009 0.000 1.129 105 D CA 0.581 54.566 54.000 -0.025 0.000 0.885 105 D CB 1.329 42.054 40.800 -0.124 0.000 1.198 105 D HN 0.072 nan 8.370 nan 0.000 0.437 106 T N 0.243 114.802 114.554 0.009 0.000 3.288 106 T HA 0.104 4.454 4.350 -0.000 0.000 0.293 106 T C 1.444 176.127 174.700 -0.029 0.000 1.008 106 T CA -0.621 61.484 62.100 0.007 0.000 0.929 106 T CB 0.002 68.898 68.868 0.046 0.000 1.152 106 T HN 0.552 nan 8.240 nan 0.000 0.517 107 R N 1.509 121.925 120.500 -0.139 0.000 2.193 107 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 107 R C 1.650 177.882 176.300 -0.114 0.000 1.110 107 R CA 1.556 57.560 56.100 -0.161 0.000 0.988 107 R CB -0.947 28.968 30.300 -0.641 0.000 0.871 107 R HN 0.464 nan 8.270 nan 0.000 0.458 108 V N -1.271 118.564 119.914 -0.132 0.000 3.646 108 V HA 0.039 4.159 4.120 -0.000 0.000 0.277 108 V C 1.887 177.941 176.094 -0.066 0.000 1.274 108 V CA 0.907 63.181 62.300 -0.043 0.000 1.164 108 V CB -0.141 31.674 31.823 -0.013 0.000 0.926 108 V HN 0.378 nan 8.190 nan 0.000 0.442 109 E N 1.613 121.789 120.200 -0.041 0.000 2.065 109 E HA -0.327 4.023 4.350 -0.000 0.000 0.201 109 E C 2.054 178.642 176.600 -0.020 0.000 1.016 109 E CA 2.519 58.895 56.400 -0.040 0.000 0.818 109 E CB -0.140 29.561 29.700 0.002 0.000 0.749 109 E HN 0.839 nan 8.360 nan 0.000 0.453 110 E N 0.129 120.352 120.200 0.039 0.000 2.150 110 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 110 E C 2.334 178.990 176.600 0.093 0.000 0.985 110 E CA 0.756 57.198 56.400 0.071 0.000 0.814 110 E CB -0.031 29.729 29.700 0.101 0.000 0.752 110 E HN 0.341 nan 8.360 nan 0.000 0.466 111 L N 0.476 121.757 121.223 0.095 0.000 2.017 111 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 111 L C 2.451 179.344 176.870 0.037 0.000 1.073 111 L CA 0.838 55.767 54.840 0.147 0.000 0.745 111 L CB -0.386 41.780 42.059 0.178 0.000 0.894 111 L HN 0.052 nan 8.230 nan 0.000 0.432 112 V N -0.686 119.023 119.914 -0.342 0.000 2.343 112 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 112 V C 2.540 178.613 176.094 -0.035 0.000 1.051 112 V CA 2.327 64.296 62.300 -0.551 0.000 1.036 112 V CB -0.841 30.582 31.823 -0.666 0.000 0.654 112 V HN 0.495 nan 8.190 nan 0.000 0.451 113 T N -0.481 114.084 114.554 0.019 0.000 2.720 113 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 113 T C 1.869 176.663 174.700 0.155 0.000 1.037 113 T CA 1.948 64.099 62.100 0.084 0.000 1.144 113 T CB -0.230 68.674 68.868 0.060 0.000 0.864 113 T HN 0.676 nan 8.240 nan 0.000 0.444 114 E N -0.142 120.182 120.200 0.207 0.000 2.047 114 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 114 E C 1.846 178.629 176.600 0.304 0.000 0.987 114 E CA 1.070 57.616 56.400 0.244 0.000 0.799 114 E CB -0.167 29.706 29.700 0.289 0.000 0.752 114 E HN 0.452 nan 8.360 nan 0.000 0.449 115 F N 1.158 121.240 119.950 0.221 0.000 2.206 115 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 115 F C 2.718 178.845 175.800 0.546 0.000 1.090 115 F CA 1.015 59.228 58.000 0.356 0.000 1.323 115 F CB -0.426 38.733 39.000 0.266 0.000 1.028 115 F HN -0.006 nan 8.300 nan 0.000 0.492 116 S N -0.091 116.000 115.700 0.651 0.000 2.419 116 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 116 S C 2.213 176.972 174.600 0.267 0.000 1.019 116 S CA 0.994 59.505 58.200 0.517 0.000 0.982 116 S CB -0.596 62.791 63.200 0.312 0.000 0.789 116 S HN 0.352 nan 8.310 nan 0.000 0.490 117 A N 0.839 123.775 122.820 0.192 0.000 2.167 117 A HA 0.106 4.425 4.320 -0.000 0.000 0.214 117 A C 1.842 179.434 177.584 0.013 0.000 1.151 117 A CA 0.659 52.740 52.037 0.074 0.000 0.735 117 A CB -0.079 18.949 19.000 0.047 0.000 0.802 117 A HN 0.397 nan 8.150 nan 0.000 0.467 118 K N -1.827 118.587 120.400 0.024 0.000 2.353 118 K HA 0.223 4.543 4.320 -0.000 0.000 0.195 118 K C -1.020 175.298 176.600 -0.471 0.000 1.031 118 K CA 0.171 56.321 56.287 -0.228 0.000 1.079 118 K CB 0.450 32.733 32.500 -0.361 0.000 0.857 118 K HN 0.517 nan 8.250 nan 0.000 0.535 119 Y N 0.248 120.590 120.300 0.071 0.000 2.512 119 Y HA 0.195 4.745 4.550 -0.000 0.000 0.348 119 Y C -0.319 175.546 175.900 -0.059 0.000 0.990 119 Y CA -1.386 56.730 58.100 0.028 0.000 1.033 119 Y CB 1.295 39.821 38.460 0.110 0.000 1.259 119 Y HN -0.117 nan 8.280 nan 0.000 0.461 120 N N 1.499 120.236 118.700 0.063 0.000 2.405 120 N HA 0.053 4.793 4.740 -0.000 0.000 0.260 120 N C 0.120 175.590 175.510 -0.067 0.000 1.152 120 N CA 0.001 53.041 53.050 -0.016 0.000 0.948 120 N CB 0.366 38.846 38.487 -0.012 0.000 1.111 120 N HN 0.736 nan 8.380 nan 0.000 0.485 121 N N 2.941 121.563 118.700 -0.130 0.000 2.149 121 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 121 N C 0.799 176.327 175.510 0.030 0.000 1.019 121 N CA 0.952 53.886 53.050 -0.193 0.000 0.857 121 N CB -0.010 38.169 38.487 -0.513 0.000 0.997 121 N HN 0.616 nan 8.380 nan 0.000 0.426 122 N N 0.660 119.374 118.700 0.023 0.000 2.244 122 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 122 N C 0.501 175.980 175.510 -0.051 0.000 1.016 122 N CA 0.903 53.977 53.050 0.039 0.000 0.866 122 N CB -0.065 38.417 38.487 -0.009 0.000 0.980 122 N HN 0.297 nan 8.380 nan 0.000 0.430 123 D N 1.377 121.750 120.400 -0.045 0.000 2.123 123 D HA -0.025 4.614 4.640 -0.000 0.000 0.200 123 D C 2.115 178.387 176.300 -0.046 0.000 0.976 123 D CA 0.399 54.371 54.000 -0.046 0.000 0.831 123 D CB -0.086 40.709 40.800 -0.008 0.000 0.974 123 D HN 0.151 nan 8.370 nan 0.000 0.469 124 I N 0.948 121.479 120.570 -0.066 0.000 2.226 124 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 124 I C 2.385 178.485 176.117 -0.028 0.000 1.100 124 I CA 1.109 62.363 61.300 -0.077 0.000 1.374 124 I CB -1.057 36.762 38.000 -0.301 0.000 1.057 124 I HN 0.155 nan 8.210 nan 0.000 0.413 125 Q N 0.943 120.714 119.800 -0.048 0.000 2.079 125 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 125 Q C 2.126 178.052 176.000 -0.123 0.000 0.974 125 Q CA 1.291 57.025 55.803 -0.114 0.000 0.840 125 Q CB 0.174 28.765 28.738 -0.246 0.000 0.898 125 Q HN 0.257 nan 8.270 nan 0.000 0.430 126 K N 0.915 121.153 120.400 -0.269 0.000 2.097 126 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 126 K C 1.969 178.562 176.600 -0.010 0.000 1.049 126 K CA 1.308 57.357 56.287 -0.396 0.000 0.933 126 K CB -0.250 32.043 32.500 -0.345 0.000 0.717 126 K HN 0.053 nan 8.250 nan 0.000 0.442 127 K N 0.700 121.111 120.400 0.019 0.000 2.025 127 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 127 K C 1.859 178.540 176.600 0.134 0.000 1.049 127 K CA 2.130 58.467 56.287 0.083 0.000 0.933 127 K CB -0.420 32.124 32.500 0.074 0.000 0.714 127 K HN 0.275 nan 8.250 nan 0.000 0.438 128 T N -5.022 109.616 114.554 0.139 0.000 2.971 128 T HA 0.297 4.647 4.350 -0.000 0.000 0.252 128 T C 1.339 176.145 174.700 0.176 0.000 1.022 128 T CA 0.478 62.679 62.100 0.168 0.000 0.980 128 T CB 0.473 69.457 68.868 0.192 0.000 1.044 128 T HN 0.350 nan 8.240 nan 0.000 0.501 129 G N 0.271 109.177 108.800 0.175 0.000 2.175 129 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.244 129 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.244 129 G C 0.150 175.043 174.900 -0.012 0.000 0.982 129 G CA 0.298 45.483 45.100 0.141 0.000 0.641 129 G HN 0.988 nan 8.290 nan 0.000 0.527 130 T N -0.906 113.582 114.554 -0.110 0.000 2.868 130 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 130 T C -0.750 173.791 174.700 -0.265 0.000 1.224 130 T CA -0.565 61.337 62.100 -0.330 0.000 1.012 130 T CB 1.030 69.562 68.868 -0.560 0.000 1.221 130 T HN 0.283 nan 8.240 nan 0.000 0.499 131 Y N 1.441 121.577 120.300 -0.272 0.000 2.299 131 Y HA 0.510 5.060 4.550 -0.000 0.000 0.335 131 Y C 0.843 176.674 175.900 -0.115 0.000 1.287 131 Y CA -1.321 56.636 58.100 -0.239 0.000 1.424 131 Y CB 0.112 38.425 38.460 -0.245 0.000 1.326 131 Y HN 0.454 nan 8.280 nan 0.000 0.567 132 F N 2.118 122.171 119.950 0.171 0.000 2.629 132 F HA 0.062 4.589 4.527 -0.000 0.000 0.369 132 F C 0.468 176.256 175.800 -0.019 0.000 1.125 132 F CA -0.204 57.924 58.000 0.214 0.000 1.330 132 F CB -0.574 38.622 39.000 0.326 0.000 1.071 132 F HN 0.634 nan 8.300 nan 0.000 0.595 133 N N -2.091 116.694 118.700 0.142 0.000 3.106 133 N HA 0.259 4.999 4.740 -0.000 0.000 0.253 133 N C -0.108 175.412 175.510 0.016 0.000 1.506 133 N CA -0.290 52.761 53.050 0.003 0.000 0.876 133 N CB 0.532 38.948 38.487 -0.118 0.000 1.452 133 N HN 0.256 nan 8.380 nan 0.000 0.542 134 T N -4.530 110.067 114.554 0.071 0.000 3.129 134 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 134 T C 0.676 175.554 174.700 0.295 0.000 1.117 134 T CA 0.570 62.721 62.100 0.086 0.000 1.034 134 T CB -0.469 68.414 68.868 0.025 0.000 0.968 134 T HN 0.489 nan 8.240 nan 0.000 0.526 135 Y N 1.104 121.577 120.300 0.288 0.000 2.266 135 Y HA 0.430 4.980 4.550 -0.000 0.000 0.294 135 Y C 0.402 176.645 175.900 0.572 0.000 1.127 135 Y CA -1.668 56.755 58.100 0.538 0.000 1.140 135 Y CB -0.353 38.540 38.460 0.722 0.000 1.071 135 Y HN 0.102 nan 8.280 nan 0.000 0.525 136 F N 0.982 120.980 119.950 0.079 0.000 2.532 136 F HA 0.091 4.618 4.527 -0.000 0.000 0.323 136 F C 2.061 177.832 175.800 -0.049 0.000 1.234 136 F CA 0.348 58.296 58.000 -0.086 0.000 1.323 136 F CB 0.045 39.001 39.000 -0.074 0.000 1.183 136 F HN -0.119 nan 8.300 nan 0.000 0.589 137 S N 0.701 116.399 115.700 -0.004 0.000 2.402 137 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 137 S C 2.176 176.673 174.600 -0.172 0.000 1.021 137 S CA 0.831 58.986 58.200 -0.076 0.000 0.974 137 S CB -0.398 62.732 63.200 -0.116 0.000 0.800 137 S HN 0.676 nan 8.310 nan 0.000 0.484 138 A N 1.177 123.796 122.820 -0.336 0.000 1.883 138 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 138 A C 1.802 178.866 177.584 -0.865 0.000 1.186 138 A CA 1.451 52.951 52.037 -0.896 0.000 0.624 138 A CB -0.938 16.950 19.000 -1.854 0.000 0.822 138 A HN 0.487 nan 8.150 nan 0.000 0.444 139 F N -0.059 119.577 119.950 -0.523 0.000 2.325 139 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 139 F C 2.188 177.908 175.800 -0.134 0.000 1.090 139 F CA 1.571 59.417 58.000 -0.257 0.000 1.392 139 F CB -0.079 38.823 39.000 -0.163 0.000 1.053 139 F HN 0.115 nan 8.300 nan 0.000 0.521 140 K N 0.376 120.785 120.400 0.015 0.000 2.097 140 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 140 K C 1.916 178.509 176.600 -0.012 0.000 1.050 140 K CA 1.272 57.547 56.287 -0.020 0.000 0.938 140 K CB -0.302 32.162 32.500 -0.060 0.000 0.718 140 K HN 0.218 nan 8.250 nan 0.000 0.442 141 I N 0.431 120.943 120.570 -0.095 0.000 2.202 141 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 141 I C 2.137 178.217 176.117 -0.063 0.000 1.091 141 I CA 0.639 61.877 61.300 -0.104 0.000 1.368 141 I CB -0.214 37.678 38.000 -0.180 0.000 1.058 141 I HN 0.094 nan 8.210 nan 0.000 0.410 142 L N 0.345 121.524 121.223 -0.073 0.000 2.013 142 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 142 L C 2.260 179.138 176.870 0.014 0.000 1.073 142 L CA 1.969 56.791 54.840 -0.031 0.000 0.753 142 L CB -0.902 41.119 42.059 -0.064 0.000 0.890 142 L HN 0.370 nan 8.230 nan 0.000 0.432 143 W N -0.162 121.068 121.300 -0.116 0.000 2.335 143 W HA -0.251 4.409 4.660 -0.000 0.000 0.311 143 W C 2.322 178.736 176.519 -0.174 0.000 1.213 143 W CA 2.218 59.489 57.345 -0.125 0.000 1.274 143 W CB -0.240 29.129 29.460 -0.152 0.000 1.148 143 W HN 0.156 nan 8.180 nan 0.000 0.498 144 L N 0.024 121.312 121.223 0.109 0.000 2.012 144 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 144 L C 2.435 179.179 176.870 -0.210 0.000 1.073 144 L CA 1.645 56.429 54.840 -0.094 0.000 0.748 144 L CB -0.887 41.138 42.059 -0.056 0.000 0.891 144 L HN 0.034 nan 8.230 nan 0.000 0.431 145 I N -0.799 119.683 120.570 -0.148 0.000 2.226 145 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 145 I C 2.566 178.581 176.117 -0.170 0.000 1.100 145 I CA 1.348 62.568 61.300 -0.133 0.000 1.374 145 I CB -0.245 37.702 38.000 -0.089 0.000 1.057 145 I HN 0.353 nan 8.210 nan 0.000 0.413 146 Q N 0.111 119.781 119.800 -0.218 0.000 2.230 146 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 146 Q C 1.287 177.083 176.000 -0.341 0.000 0.963 146 Q CA 0.882 56.543 55.803 -0.237 0.000 0.866 146 Q CB 0.031 28.639 28.738 -0.217 0.000 0.931 146 Q HN 0.553 nan 8.270 nan 0.000 0.452 147 N N 0.193 118.576 118.700 -0.528 0.000 2.184 147 N HA 0.020 4.760 4.740 -0.000 0.000 0.206 147 N C -0.392 174.904 175.510 -0.357 0.000 1.151 147 N CA 0.128 52.827 53.050 -0.585 0.000 0.878 147 N CB 0.693 38.456 38.487 -1.205 0.000 1.014 147 N HN 0.040 nan 8.380 nan 0.000 0.512 148 N N 0.978 119.521 118.700 -0.262 0.000 2.607 148 N HA 0.220 4.960 4.740 -0.000 0.000 0.271 148 N C -2.339 173.112 175.510 -0.098 0.000 1.142 148 N CA -1.478 51.487 53.050 -0.141 0.000 0.810 148 N CB 1.840 40.254 38.487 -0.121 0.000 1.306 148 N HN -0.194 nan 8.380 nan 0.000 0.536 149 P HA -0.107 nan 4.420 nan 0.000 0.220 149 P C 1.042 178.320 177.300 -0.037 0.000 1.148 149 P CA 0.907 63.975 63.100 -0.053 0.000 0.803 149 P CB 0.595 32.271 31.700 -0.040 0.000 0.782 150 E N 0.043 120.230 120.200 -0.022 0.000 2.085 150 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 150 E C 1.914 178.502 176.600 -0.019 0.000 0.994 150 E CA 1.023 57.418 56.400 -0.009 0.000 0.801 150 E CB -0.474 29.235 29.700 0.014 0.000 0.743 150 E HN 0.163 nan 8.360 nan 0.000 0.453 151 I N 0.923 121.475 120.570 -0.030 0.000 2.179 151 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 151 I C 2.764 178.844 176.117 -0.062 0.000 1.088 151 I CA 1.265 62.537 61.300 -0.046 0.000 1.357 151 I CB -0.340 37.624 38.000 -0.058 0.000 1.051 151 I HN 0.117 nan 8.210 nan 0.000 0.409 152 K N 0.968 121.328 120.400 -0.066 0.000 2.044 152 K HA -0.273 4.046 4.320 -0.000 0.000 0.210 152 K C 2.163 178.733 176.600 -0.050 0.000 1.049 152 K CA 1.823 58.072 56.287 -0.062 0.000 0.927 152 K CB -0.090 32.373 32.500 -0.062 0.000 0.713 152 K HN 0.349 nan 8.250 nan 0.000 0.443 153 Q N 0.107 119.883 119.800 -0.040 0.000 2.084 153 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 153 Q C 1.947 177.927 176.000 -0.033 0.000 0.978 153 Q CA 1.742 57.527 55.803 -0.031 0.000 0.844 153 Q CB 0.064 28.790 28.738 -0.021 0.000 0.898 153 Q HN 0.281 nan 8.270 nan 0.000 0.426 154 K N 0.045 120.423 120.400 -0.036 0.000 2.228 154 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 154 K C 1.891 178.452 176.600 -0.065 0.000 1.051 154 K CA 0.544 56.807 56.287 -0.041 0.000 0.960 154 K CB 0.170 32.650 32.500 -0.033 0.000 0.743 154 K HN 0.175 nan 8.250 nan 0.000 0.458 155 I N 1.483 122.006 120.570 -0.077 0.000 2.202 155 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 155 I C 1.517 177.589 176.117 -0.074 0.000 1.091 155 I CA 1.171 62.414 61.300 -0.095 0.000 1.368 155 I CB -0.228 37.710 38.000 -0.104 0.000 1.058 155 I HN 0.099 nan 8.210 nan 0.000 0.410 156 D N 1.109 121.475 120.400 -0.057 0.000 2.116 156 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 156 D C 1.517 177.795 176.300 -0.037 0.000 0.998 156 D CA 1.720 55.694 54.000 -0.043 0.000 0.836 156 D CB -0.557 40.223 40.800 -0.034 0.000 0.951 156 D HN 0.517 nan 8.370 nan 0.000 0.449 157 D N -0.985 119.394 120.400 -0.034 0.000 2.340 157 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 157 D C 1.395 177.677 176.300 -0.029 0.000 1.039 157 D CA 0.739 54.723 54.000 -0.026 0.000 0.866 157 D CB -0.274 40.515 40.800 -0.017 0.000 0.913 157 D HN 0.222 nan 8.370 nan 0.000 0.523 158 G N 0.332 109.104 108.800 -0.046 0.000 2.153 158 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 158 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 158 G C 0.938 175.808 174.900 -0.050 0.000 0.994 158 G CA 0.987 46.055 45.100 -0.054 0.000 0.698 158 G HN 0.664 nan 8.290 nan 0.000 0.521 159 T N -3.212 111.316 114.554 -0.045 0.000 3.086 159 T HA 0.696 5.046 4.350 -0.000 0.000 0.250 159 T C 1.030 175.697 174.700 -0.055 0.000 1.074 159 T CA 1.244 63.327 62.100 -0.028 0.000 0.988 159 T CB 0.731 69.597 68.868 -0.002 0.000 0.988 159 T HN 1.573 nan 8.240 nan 0.000 0.530 160 A N 0.827 123.579 122.820 -0.113 0.000 2.294 160 A HA 0.781 5.101 4.320 -0.000 0.000 0.330 160 A C -0.536 176.843 177.584 -0.342 0.000 1.133 160 A CA -0.705 51.211 52.037 -0.201 0.000 0.836 160 A CB 1.484 20.374 19.000 -0.182 0.000 1.190 160 A HN 0.297 nan 8.150 nan 0.000 0.492 161 V N 1.805 121.333 119.914 -0.643 0.000 2.495 161 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 161 V C -0.469 175.032 176.094 -0.987 0.000 1.031 161 V CA -0.210 61.542 62.300 -0.912 0.000 0.871 161 V CB 1.495 32.465 31.823 -1.422 0.000 0.988 161 V HN 0.696 nan 8.190 nan 0.000 0.432 162 I N 3.811 123.981 120.570 -0.666 0.000 2.339 162 I HA 0.743 4.913 4.170 -0.000 0.000 0.290 162 I C 0.589 176.456 176.117 -0.416 0.000 0.994 162 I CA -0.078 60.930 61.300 -0.486 0.000 1.191 162 I CB 1.654 39.444 38.000 -0.350 0.000 1.343 162 I HN 0.755 nan 8.210 nan 0.000 0.458 163 G N 4.235 112.890 108.800 -0.242 0.000 2.667 163 G HA2 0.409 4.369 3.960 -0.000 0.000 0.298 163 G HA3 0.409 4.369 3.960 -0.000 0.000 0.298 163 G C -1.167 173.868 174.900 0.225 0.000 1.377 163 G CA -0.685 44.475 45.100 0.100 0.000 0.964 163 G HN 0.619 nan 8.290 nan 0.000 0.493 164 N N 0.000 118.814 118.700 0.190 0.000 2.285 164 N HA 0.179 4.919 4.740 -0.000 0.000 0.262 164 N C 1.451 177.093 175.510 0.221 0.000 1.299 164 N CA -0.947 52.195 53.050 0.154 0.000 0.930 164 N CB 1.082 39.619 38.487 0.084 0.000 1.157 164 N HN 0.254 nan 8.380 nan 0.000 0.532 165 I N 0.992 121.657 120.570 0.157 0.000 2.394 165 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 165 I C 2.003 178.231 176.117 0.185 0.000 1.136 165 I CA 1.096 62.507 61.300 0.186 0.000 1.425 165 I CB -1.290 36.788 38.000 0.131 0.000 1.079 165 I HN 0.642 nan 8.210 nan 0.000 0.425 166 N N 0.824 119.595 118.700 0.118 0.000 2.069 166 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 166 N C 1.557 177.154 175.510 0.144 0.000 1.031 166 N CA 2.092 55.184 53.050 0.070 0.000 0.852 166 N CB -1.258 37.231 38.487 0.004 0.000 1.018 166 N HN 0.232 nan 8.380 nan 0.000 0.423 167 T N 0.417 115.128 114.554 0.262 0.000 2.720 167 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 167 T C 1.381 176.370 174.700 0.482 0.000 1.037 167 T CA 1.111 63.456 62.100 0.409 0.000 1.144 167 T CB -0.478 68.671 68.868 0.469 0.000 0.864 167 T HN 0.454 nan 8.240 nan 0.000 0.444 168 W N 1.371 122.753 121.300 0.136 0.000 2.354 168 W HA -0.159 4.501 4.660 -0.000 0.000 0.315 168 W C 1.619 178.062 176.519 -0.127 0.000 1.206 168 W CA 0.545 57.718 57.345 -0.286 0.000 1.290 168 W CB -0.361 28.889 29.460 -0.349 0.000 1.152 168 W HN 0.153 nan 8.180 nan 0.000 0.489 169 L N 1.059 122.216 121.223 -0.111 0.000 2.017 169 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 169 L C 2.471 179.259 176.870 -0.137 0.000 1.073 169 L CA 1.779 56.481 54.840 -0.230 0.000 0.745 169 L CB -1.510 40.478 42.059 -0.119 0.000 0.894 169 L HN -0.004 nan 8.230 nan 0.000 0.432 170 I N -1.909 118.666 120.570 0.009 0.000 2.252 170 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 170 I C 2.422 178.599 176.117 0.099 0.000 1.102 170 I CA 1.118 62.466 61.300 0.080 0.000 1.385 170 I CB -0.336 37.778 38.000 0.191 0.000 1.064 170 I HN 0.167 nan 8.210 nan 0.000 0.414 171 F N 2.170 122.110 119.950 -0.017 0.000 2.095 171 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 171 F C 2.085 177.785 175.800 -0.166 0.000 1.104 171 F CA 2.136 60.124 58.000 -0.019 0.000 1.232 171 F CB -0.376 38.685 39.000 0.102 0.000 0.987 171 F HN 0.063 nan 8.300 nan 0.000 0.475 172 N N 0.254 118.866 118.700 -0.146 0.000 2.135 172 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 172 N C 1.854 177.300 175.510 -0.106 0.000 1.027 172 N CA 1.478 54.388 53.050 -0.232 0.000 0.849 172 N CB -0.314 37.891 38.487 -0.470 0.000 1.002 172 N HN 0.264 nan 8.380 nan 0.000 0.425 173 L N 0.065 121.245 121.223 -0.072 0.000 2.083 173 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 173 L C 2.178 179.034 176.870 -0.023 0.000 1.083 173 L CA 1.317 56.162 54.840 0.008 0.000 0.752 173 L CB -0.677 41.382 42.059 -0.000 0.000 0.899 173 L HN 0.436 nan 8.230 nan 0.000 0.433 174 T N -4.601 109.917 114.554 -0.059 0.000 3.107 174 T HA 0.058 4.408 4.350 -0.000 0.000 0.249 174 T C 0.795 175.409 174.700 -0.143 0.000 1.096 174 T CA -0.298 61.767 62.100 -0.060 0.000 1.012 174 T CB -0.031 68.836 68.868 -0.002 0.000 0.977 174 T HN 0.244 nan 8.240 nan 0.000 0.527 175 K N 0.632 120.892 120.400 -0.234 0.000 3.096 175 K HA -0.158 4.162 4.320 -0.000 0.000 0.266 175 K C 0.835 177.173 176.600 -0.436 0.000 1.043 175 K CA 0.351 56.454 56.287 -0.306 0.000 0.758 175 K CB -1.982 30.415 32.500 -0.171 0.000 1.260 175 K HN 0.821 nan 8.250 nan 0.000 0.481 176 G N -0.890 107.481 108.800 -0.714 0.000 2.613 176 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.199 176 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.199 176 G C -0.282 174.419 174.900 -0.333 0.000 0.991 176 G CA -0.416 44.191 45.100 -0.820 0.000 0.756 176 G HN 0.213 nan 8.290 nan 0.000 0.515 177 N N 0.165 118.747 118.700 -0.197 0.000 2.492 177 N HA 0.412 5.152 4.740 -0.000 0.000 0.260 177 N C -0.219 175.306 175.510 0.024 0.000 1.215 177 N CA 0.383 53.350 53.050 -0.138 0.000 0.923 177 N CB 1.074 39.502 38.487 -0.098 0.000 1.092 177 N HN 0.221 nan 8.380 nan 0.000 0.448 178 C N 3.287 122.499 119.300 -0.147 0.000 2.362 178 C HA 0.450 4.910 4.460 -0.000 0.000 0.309 178 C C -0.946 174.015 174.990 -0.047 0.000 1.110 178 C CA -0.627 58.443 59.018 0.086 0.000 1.485 178 C CB -1.661 26.153 27.740 0.124 0.000 1.949 178 C HN 0.531 nan 8.230 nan 0.000 0.419 179 Y N 0.441 120.934 120.300 0.323 0.000 2.553 179 Y HA 0.762 5.312 4.550 -0.000 0.000 0.347 179 Y C 0.431 176.521 175.900 0.316 0.000 1.019 179 Y CA -0.596 57.697 58.100 0.323 0.000 1.032 179 Y CB 1.958 40.674 38.460 0.427 0.000 1.284 179 Y HN 0.443 nan 8.280 nan 0.000 0.466 180 T N 0.778 115.629 114.554 0.495 0.000 2.804 180 T HA 0.442 4.792 4.350 -0.000 0.000 0.290 180 T C -1.867 173.002 174.700 0.281 0.000 1.099 180 T CA -0.735 61.564 62.100 0.332 0.000 1.011 180 T CB 1.262 70.310 68.868 0.300 0.000 1.291 180 T HN 0.788 nan 8.240 nan 0.000 0.523 181 D N 0.586 121.076 120.400 0.150 0.000 2.419 181 D HA 0.288 4.927 4.640 -0.000 0.000 0.234 181 D C 1.674 177.969 176.300 -0.008 0.000 1.014 181 D CA -0.526 53.534 54.000 0.099 0.000 0.919 181 D CB 1.699 42.550 40.800 0.085 0.000 1.366 181 D HN 0.444 nan 8.370 nan 0.000 0.490 182 V N -0.481 119.409 119.914 -0.040 0.000 2.469 182 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 182 V C 2.353 178.385 176.094 -0.104 0.000 1.064 182 V CA 2.593 64.829 62.300 -0.106 0.000 1.066 182 V CB -1.880 29.881 31.823 -0.104 0.000 0.667 182 V HN 0.831 nan 8.190 nan 0.000 0.461 183 T N -1.590 112.920 114.554 -0.074 0.000 2.737 183 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 183 T C 1.910 176.543 174.700 -0.112 0.000 1.038 183 T CA 1.692 63.741 62.100 -0.085 0.000 1.144 183 T CB -0.787 68.043 68.868 -0.062 0.000 0.866 183 T HN 0.500 nan 8.240 nan 0.000 0.434 184 N N 1.932 120.577 118.700 -0.091 0.000 2.188 184 N HA 0.049 4.789 4.740 -0.000 0.000 0.184 184 N C 2.309 177.771 175.510 -0.081 0.000 1.018 184 N CA 1.392 54.386 53.050 -0.095 0.000 0.858 184 N CB -0.547 37.919 38.487 -0.035 0.000 0.989 184 N HN 0.622 nan 8.380 nan 0.000 0.426 185 A N 0.971 123.751 122.820 -0.067 0.000 1.972 185 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 185 A C 2.292 179.823 177.584 -0.088 0.000 1.169 185 A CA 1.893 53.875 52.037 -0.091 0.000 0.635 185 A CB -0.628 18.112 19.000 -0.435 0.000 0.810 185 A HN 0.448 nan 8.150 nan 0.000 0.446 186 S N -1.038 114.593 115.700 -0.115 0.000 2.555 186 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 186 S C 1.362 175.876 174.600 -0.144 0.000 0.978 186 S CA 0.504 58.667 58.200 -0.061 0.000 0.934 186 S CB -0.163 63.015 63.200 -0.037 0.000 0.766 186 S HN 0.474 nan 8.310 nan 0.000 0.533 187 R N 1.325 121.586 120.500 -0.398 0.000 2.393 187 R HA 0.205 4.545 4.340 -0.000 0.000 0.244 187 R C 1.686 177.399 176.300 -0.978 0.000 0.920 187 R CA 0.931 56.380 56.100 -1.085 0.000 1.076 187 R CB -0.873 28.921 30.300 -0.843 0.000 1.119 187 R HN 0.761 nan 8.270 nan 0.000 0.524 188 T N -2.964 111.408 114.554 -0.304 0.000 3.037 188 T HA 0.190 4.540 4.350 -0.000 0.000 0.252 188 T C 1.239 175.969 174.700 0.050 0.000 1.073 188 T CA -0.048 62.002 62.100 -0.083 0.000 1.091 188 T CB 0.243 69.176 68.868 0.107 0.000 0.935 188 T HN 0.183 nan 8.240 nan 0.000 0.488 189 L N -0.859 120.517 121.223 0.255 0.000 4.950 189 L HA -0.154 4.186 4.340 -0.000 0.000 0.413 189 L C 0.849 177.845 176.870 0.209 0.000 1.020 189 L CA 0.496 55.502 54.840 0.276 0.000 1.239 189 L CB -1.175 40.996 42.059 0.187 0.000 2.004 189 L HN 0.373 nan 8.230 nan 0.000 0.658 190 L N -1.567 119.788 121.223 0.220 0.000 2.701 190 L HA 0.247 4.587 4.340 -0.000 0.000 0.238 190 L C 0.879 177.992 176.870 0.404 0.000 1.106 190 L CA 0.035 55.051 54.840 0.292 0.000 0.898 190 L CB 0.372 42.567 42.059 0.226 0.000 1.188 190 L HN 0.243 nan 8.230 nan 0.000 0.508 191 M N 0.696 120.481 119.600 0.308 0.000 2.363 191 M HA 0.218 4.698 4.480 -0.000 0.000 0.343 191 M C -0.725 175.651 176.300 0.127 0.000 1.165 191 M CA -0.448 54.946 55.300 0.157 0.000 1.046 191 M CB 1.484 34.053 32.600 -0.052 0.000 1.648 191 M HN -0.132 nan 8.290 nan 0.000 0.452 192 D N 3.943 124.399 120.400 0.093 0.000 2.346 192 D HA 0.020 4.660 4.640 -0.000 0.000 0.260 192 D C 0.776 177.125 176.300 0.081 0.000 1.252 192 D CA 0.019 54.074 54.000 0.092 0.000 0.895 192 D CB 0.675 41.522 40.800 0.078 0.000 1.097 192 D HN 0.652 nan 8.370 nan 0.000 0.489 193 I N 4.841 125.482 120.570 0.118 0.000 2.454 193 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 193 I C 1.629 177.856 176.117 0.184 0.000 1.156 193 I CA 1.088 62.477 61.300 0.149 0.000 1.433 193 I CB -0.101 37.994 38.000 0.159 0.000 1.082 193 I HN 0.401 nan 8.210 nan 0.000 0.432 194 N N -0.655 118.120 118.700 0.124 0.000 2.305 194 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 194 N C 1.773 177.343 175.510 0.100 0.000 1.019 194 N CA 1.801 54.918 53.050 0.111 0.000 0.869 194 N CB -0.187 38.340 38.487 0.067 0.000 1.000 194 N HN 0.491 nan 8.380 nan 0.000 0.431 195 T N -1.070 113.523 114.554 0.066 0.000 3.057 195 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 195 T C 1.075 175.775 174.700 0.001 0.000 1.094 195 T CA -0.005 62.117 62.100 0.036 0.000 1.088 195 T CB 0.034 68.921 68.868 0.033 0.000 0.934 195 T HN 0.213 nan 8.240 nan 0.000 0.497 196 L N -0.313 120.900 121.223 -0.016 0.000 4.089 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.408 196 L C -0.585 176.184 176.870 -0.167 0.000 1.184 196 L CA 0.200 54.985 54.840 -0.090 0.000 0.947 196 L CB -2.002 40.004 42.059 -0.088 0.000 2.066 196 L HN 0.445 nan 8.230 nan 0.000 0.851 197 Q N -0.882 118.845 119.800 -0.122 0.000 2.348 197 Q HA 0.356 4.696 4.340 -0.000 0.000 0.271 197 Q C -0.416 175.533 176.000 -0.085 0.000 1.067 197 Q CA -0.639 55.075 55.803 -0.147 0.000 0.839 197 Q CB 1.117 29.845 28.738 -0.016 0.000 1.354 197 Q HN 0.176 nan 8.270 nan 0.000 0.447 198 W N 1.264 122.589 121.300 0.042 0.000 2.343 198 W HA -0.005 4.655 4.660 -0.000 0.000 0.337 198 W C 0.481 177.027 176.519 0.044 0.000 1.320 198 W CA 0.036 57.404 57.345 0.039 0.000 1.290 198 W CB 0.310 29.787 29.460 0.029 0.000 1.206 198 W HN 0.458 nan 8.180 nan 0.000 0.565 199 D N 2.430 123.022 120.400 0.320 0.000 2.280 199 D HA 0.018 4.658 4.640 -0.000 0.000 0.236 199 D C 1.016 177.414 176.300 0.165 0.000 1.082 199 D CA -0.226 53.892 54.000 0.198 0.000 0.834 199 D CB 1.153 42.057 40.800 0.174 0.000 1.100 199 D HN 0.522 nan 8.370 nan 0.000 0.486 200 E N 2.983 123.258 120.200 0.124 0.000 2.085 200 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 200 E C 1.123 177.768 176.600 0.076 0.000 0.994 200 E CA 1.133 57.586 56.400 0.089 0.000 0.801 200 E CB 0.304 30.046 29.700 0.070 0.000 0.743 200 E HN 0.437 nan 8.360 nan 0.000 0.453 201 K N -0.311 120.137 120.400 0.080 0.000 2.026 201 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 201 K C 2.206 178.842 176.600 0.061 0.000 1.048 201 K CA 1.370 57.697 56.287 0.068 0.000 0.929 201 K CB -0.096 32.447 32.500 0.072 0.000 0.713 201 K HN 0.201 nan 8.250 nan 0.000 0.439 202 M N 0.682 120.346 119.600 0.106 0.000 2.117 202 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 202 M C 2.483 178.886 176.300 0.172 0.000 1.065 202 M CA 1.342 56.736 55.300 0.157 0.000 1.114 202 M CB -1.405 31.346 32.600 0.252 0.000 1.361 202 M HN 0.219 nan 8.290 nan 0.000 0.408 203 C N 0.327 119.707 119.300 0.132 0.000 2.413 203 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 203 C C 2.848 177.865 174.990 0.045 0.000 1.248 203 C CA 1.051 60.119 59.018 0.083 0.000 1.742 203 C CB -0.983 26.774 27.740 0.028 0.000 2.017 203 C HN 0.571 nan 8.230 nan 0.000 0.481 204 K N 0.713 121.127 120.400 0.024 0.000 2.057 204 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 204 K C 1.822 178.398 176.600 -0.039 0.000 1.049 204 K CA 1.447 57.735 56.287 0.002 0.000 0.931 204 K CB -0.248 32.262 32.500 0.018 0.000 0.714 204 K HN 0.467 nan 8.250 nan 0.000 0.440 205 I N 0.265 120.758 120.570 -0.129 0.000 2.208 205 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 205 I C 1.303 177.167 176.117 -0.423 0.000 1.097 205 I CA 1.248 62.348 61.300 -0.334 0.000 1.363 205 I CB -0.129 37.429 38.000 -0.737 0.000 1.051 205 I HN 0.090 nan 8.210 nan 0.000 0.413 206 F N 1.073 120.950 119.950 -0.121 0.000 2.692 206 F HA 0.128 4.655 4.527 -0.000 0.000 0.303 206 F C 0.639 176.355 175.800 -0.141 0.000 1.114 206 F CA -0.111 57.757 58.000 -0.220 0.000 1.361 206 F CB -0.761 38.052 39.000 -0.312 0.000 1.063 206 F HN 0.074 nan 8.300 nan 0.000 0.550 207 N N 0.110 118.824 118.700 0.023 0.000 2.776 207 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 207 N C -0.438 175.062 175.510 -0.016 0.000 1.112 207 N CA 0.548 53.601 53.050 0.004 0.000 0.733 207 N CB -2.026 36.463 38.487 0.004 0.000 1.097 207 N HN 0.282 nan 8.380 nan 0.000 0.558 208 I N 1.101 121.662 120.570 -0.015 0.000 2.260 208 I HA 0.063 4.233 4.170 -0.000 0.000 0.297 208 I C 1.644 177.731 176.117 -0.050 0.000 1.143 208 I CA -0.013 61.253 61.300 -0.056 0.000 1.271 208 I CB 0.281 38.228 38.000 -0.088 0.000 1.461 208 I HN 0.189 nan 8.210 nan 0.000 0.530 209 T N 0.467 114.992 114.554 -0.048 0.000 3.088 209 T HA 0.014 4.364 4.350 -0.000 0.000 0.259 209 T C 0.803 175.479 174.700 -0.040 0.000 1.122 209 T CA 0.197 62.276 62.100 -0.035 0.000 1.095 209 T CB -0.121 68.729 68.868 -0.030 0.000 0.930 209 T HN 0.412 nan 8.240 nan 0.000 0.508 210 N N 0.290 118.954 118.700 -0.061 0.000 2.577 210 N HA 0.368 5.108 4.740 -0.000 0.000 0.275 210 N C 0.203 175.656 175.510 -0.094 0.000 1.091 210 N CA -0.444 52.569 53.050 -0.063 0.000 0.843 210 N CB 1.355 39.805 38.487 -0.061 0.000 1.295 210 N HN 0.134 nan 8.380 nan 0.000 0.530 211 M N 0.810 120.362 119.600 -0.081 0.000 2.630 211 M HA -0.084 4.396 4.480 -0.000 0.000 0.254 211 M C 1.800 178.020 176.300 -0.134 0.000 1.092 211 M CA 0.580 55.807 55.300 -0.122 0.000 1.087 211 M CB 0.049 32.613 32.600 -0.060 0.000 1.453 211 M HN 0.597 nan 8.290 nan 0.000 0.509 212 S N 0.290 115.938 115.700 -0.087 0.000 2.469 212 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 212 S C 1.686 176.218 174.600 -0.114 0.000 0.998 212 S CA 1.063 59.220 58.200 -0.071 0.000 0.957 212 S CB -1.018 62.157 63.200 -0.041 0.000 0.764 212 S HN 0.502 nan 8.310 nan 0.000 0.514 213 V N -0.780 119.032 119.914 -0.171 0.000 3.141 213 V HA 0.339 4.459 4.120 -0.000 0.000 0.265 213 V C 0.720 176.633 176.094 -0.300 0.000 1.126 213 V CA 0.272 62.434 62.300 -0.230 0.000 1.141 213 V CB -1.098 30.579 31.823 -0.243 0.000 0.743 213 V HN 0.469 nan 8.190 nan 0.000 0.492 214 L N 2.860 123.876 121.223 -0.346 0.000 2.326 214 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 214 L C -1.881 174.911 176.870 -0.130 0.000 1.092 214 L CA -1.853 52.696 54.840 -0.484 0.000 0.810 214 L CB 1.012 42.384 42.059 -1.144 0.000 1.153 214 L HN 0.112 nan 8.230 nan 0.000 0.439 215 P HA 0.057 nan 4.420 nan 0.000 0.274 215 P C -0.777 176.818 177.300 0.491 0.000 1.237 215 P CA -0.568 62.685 63.100 0.254 0.000 0.793 215 P CB 0.796 32.664 31.700 0.281 0.000 0.977 216 E N 1.317 121.753 120.200 0.393 0.000 2.384 216 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 216 E C -0.370 176.433 176.600 0.338 0.000 1.012 216 E CA -0.307 56.322 56.400 0.382 0.000 0.901 216 E CB 0.096 30.017 29.700 0.369 0.000 0.967 216 E HN 0.318 nan 8.360 nan 0.000 0.435 217 I N 5.681 126.331 120.570 0.134 0.000 2.337 217 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 217 I C 0.491 176.602 176.117 -0.011 0.000 1.046 217 I CA -0.245 61.038 61.300 -0.028 0.000 1.324 217 I CB 0.558 38.360 38.000 -0.331 0.000 1.409 217 I HN 0.286 nan 8.210 nan 0.000 0.494 218 K N 4.396 124.813 120.400 0.027 0.000 2.185 218 K HA 0.478 4.798 4.320 -0.000 0.000 0.240 218 K C 0.021 176.612 176.600 -0.015 0.000 0.983 218 K CA -0.609 55.642 56.287 -0.059 0.000 0.873 218 K CB 1.987 34.370 32.500 -0.196 0.000 1.118 218 K HN 0.670 nan 8.250 nan 0.000 0.441 219 S N -0.184 115.482 115.700 -0.057 0.000 2.608 219 S HA 0.078 4.548 4.470 -0.000 0.000 0.261 219 S C 0.850 175.500 174.600 0.083 0.000 1.314 219 S CA -0.221 57.981 58.200 0.003 0.000 0.992 219 S CB 0.431 63.626 63.200 -0.008 0.000 0.935 219 S HN 0.552 nan 8.310 nan 0.000 0.564 220 N N -0.491 118.258 118.700 0.081 0.000 2.270 220 N HA 0.050 4.790 4.740 -0.000 0.000 0.181 220 N C -0.304 175.239 175.510 0.056 0.000 1.016 220 N CA 0.817 53.906 53.050 0.065 0.000 0.870 220 N CB -0.128 38.331 38.487 -0.047 0.000 0.979 220 N HN 0.460 nan 8.380 nan 0.000 0.431 221 C N 0.295 119.589 119.300 -0.011 0.000 2.255 221 C HA 0.720 5.180 4.460 -0.000 0.000 0.326 221 C C 0.285 175.249 174.990 -0.043 0.000 1.258 221 C CA -0.597 58.413 59.018 -0.014 0.000 1.676 221 C CB -0.068 27.636 27.740 -0.059 0.000 2.314 221 C HN 0.198 nan 8.230 nan 0.000 0.509 222 S N 1.667 117.315 115.700 -0.088 0.000 2.636 222 S HA 0.370 4.840 4.470 -0.000 0.000 0.266 222 S C -1.476 172.880 174.600 -0.408 0.000 1.147 222 S CA -0.506 57.458 58.200 -0.394 0.000 0.815 222 S CB 0.973 63.697 63.200 -0.793 0.000 1.119 222 S HN 0.733 nan 8.310 nan 0.000 0.470 223 N N 1.765 120.198 118.700 -0.445 0.000 2.521 223 N HA 0.307 5.047 4.740 -0.000 0.000 0.236 223 N C -0.186 175.051 175.510 -0.456 0.000 1.067 223 N CA -0.277 52.603 53.050 -0.284 0.000 0.939 223 N CB -0.546 37.839 38.487 -0.169 0.000 1.201 223 N HN 0.510 nan 8.380 nan 0.000 0.511 224 F N 1.741 121.624 119.950 -0.112 0.000 2.780 224 F HA 0.317 4.844 4.527 -0.000 0.000 0.299 224 F C 1.799 177.712 175.800 0.189 0.000 1.146 224 F CA 0.730 58.700 58.000 -0.050 0.000 1.428 224 F CB -0.114 38.885 39.000 -0.001 0.000 1.115 224 F HN 0.577 nan 8.300 nan 0.000 0.583 225 G N 0.101 109.038 108.800 0.228 0.000 2.371 225 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.663 225 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.663 225 G C -1.427 173.550 174.900 0.127 0.000 1.311 225 G CA -1.259 43.951 45.100 0.184 0.000 0.985 225 G HN 0.001 nan 8.290 nan 0.000 0.566 226 L N 0.251 121.528 121.223 0.089 0.000 2.307 226 L HA 0.536 4.876 4.340 -0.000 0.000 0.282 226 L C 0.932 177.836 176.870 0.055 0.000 1.051 226 L CA -1.185 53.694 54.840 0.065 0.000 0.804 226 L CB 1.639 43.724 42.059 0.042 0.000 1.197 226 L HN 0.464 nan 8.230 nan 0.000 0.431 227 V N 4.285 124.237 119.914 0.063 0.000 2.529 227 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 227 V C 0.833 176.946 176.094 0.032 0.000 1.028 227 V CA 0.250 62.581 62.300 0.053 0.000 1.074 227 V CB 0.620 32.496 31.823 0.090 0.000 0.958 227 V HN 0.756 nan 8.190 nan 0.000 0.481 228 K N 1.689 122.088 120.400 -0.002 0.000 2.521 228 K HA 0.150 4.470 4.320 -0.000 0.000 0.213 228 K C 0.807 177.369 176.600 -0.063 0.000 1.223 228 K CA 0.000 56.271 56.287 -0.028 0.000 1.013 228 K CB 0.858 33.333 32.500 -0.041 0.000 1.017 228 K HN 0.573 nan 8.250 nan 0.000 0.591 229 S N 3.128 118.786 115.700 -0.070 0.000 2.546 229 S HA -0.048 4.422 4.470 -0.000 0.000 0.290 229 S C 1.349 175.821 174.600 -0.212 0.000 1.290 229 S CA -0.036 58.082 58.200 -0.137 0.000 1.069 229 S CB 0.596 63.725 63.200 -0.119 0.000 0.846 229 S HN 0.259 nan 8.310 nan 0.000 0.495 230 E N 4.769 124.783 120.200 -0.310 0.000 2.409 230 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 230 E C 0.738 177.083 176.600 -0.426 0.000 1.024 230 E CA 1.073 57.272 56.400 -0.334 0.000 0.861 230 E CB -0.468 29.023 29.700 -0.349 0.000 0.788 230 E HN 0.866 nan 8.360 nan 0.000 0.521 231 H N 1.179 120.016 119.070 -0.388 0.000 2.524 231 H HA 0.046 4.602 4.556 -0.000 0.000 0.282 231 H C 1.042 176.148 175.328 -0.371 0.000 1.016 231 H CA 1.301 57.043 56.048 -0.510 0.000 1.270 231 H CB 0.531 29.615 29.762 -1.130 0.000 1.394 231 H HN 0.144 nan 8.280 nan 0.000 0.568 232 V N -0.822 118.989 119.914 -0.170 0.000 2.468 232 V HA 0.210 4.330 4.120 -0.000 0.000 0.256 232 V C -2.088 174.087 176.094 0.134 0.000 0.998 232 V CA -1.336 60.988 62.300 0.040 0.000 1.114 232 V CB 1.736 33.562 31.823 0.005 0.000 1.378 232 V HN -0.064 nan 8.190 nan 0.000 0.573 233 P HA -0.081 nan 4.420 nan 0.000 0.218 233 P C 0.796 178.125 177.300 0.049 0.000 1.149 233 P CA 1.276 64.393 63.100 0.028 0.000 0.817 233 P CB 0.453 32.146 31.700 -0.011 0.000 0.785 234 D N -1.164 119.272 120.400 0.059 0.000 2.310 234 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 234 D C 1.281 177.496 176.300 -0.142 0.000 0.965 234 D CA 0.953 54.910 54.000 -0.071 0.000 0.879 234 D CB -0.716 39.982 40.800 -0.169 0.000 0.921 234 D HN 0.344 nan 8.370 nan 0.000 0.510 235 Y N -0.097 120.216 120.300 0.021 0.000 2.461 235 Y HA 0.169 4.719 4.550 -0.000 0.000 0.277 235 Y C 0.629 176.538 175.900 0.015 0.000 1.182 235 Y CA -0.837 57.283 58.100 0.034 0.000 1.276 235 Y CB 0.038 38.531 38.460 0.056 0.000 1.087 235 Y HN -0.117 nan 8.280 nan 0.000 0.519 236 L N 2.095 123.386 121.223 0.114 0.000 2.601 236 L HA -0.096 4.244 4.340 -0.000 0.000 0.277 236 L C 0.556 177.455 176.870 0.048 0.000 1.219 236 L CA 0.351 55.226 54.840 0.059 0.000 0.915 236 L CB -0.089 41.981 42.059 0.019 0.000 1.160 236 L HN 0.405 nan 8.230 nan 0.000 0.494 237 N N 2.625 121.353 118.700 0.046 0.000 2.753 237 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 237 N C -0.393 175.146 175.510 0.048 0.000 1.097 237 N CA 0.933 54.005 53.050 0.038 0.000 0.786 237 N CB -1.195 37.303 38.487 0.018 0.000 1.137 237 N HN 0.374 nan 8.380 nan 0.000 0.566 238 I N 1.895 122.513 120.570 0.080 0.000 2.441 238 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 238 I C -1.612 174.559 176.117 0.089 0.000 1.049 238 I CA -1.931 59.425 61.300 0.093 0.000 1.381 238 I CB 0.344 38.443 38.000 0.163 0.000 1.409 238 I HN -0.094 nan 8.210 nan 0.000 0.523 239 P HA 0.378 nan 4.420 nan 0.000 0.286 239 P C -0.623 176.729 177.300 0.087 0.000 1.261 239 P CA -0.467 62.676 63.100 0.072 0.000 0.821 239 P CB 1.423 33.153 31.700 0.049 0.000 1.013 240 I N 2.781 123.421 120.570 0.117 0.000 2.297 240 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 240 I C 1.299 177.553 176.117 0.229 0.000 1.033 240 I CA 0.042 61.419 61.300 0.130 0.000 1.253 240 I CB 1.082 39.161 38.000 0.132 0.000 1.396 240 I HN 0.426 nan 8.210 nan 0.000 0.476 241 T N 0.566 115.224 114.554 0.173 0.000 3.058 241 T HA 0.351 4.701 4.350 -0.000 0.000 0.278 241 T C 0.412 175.236 174.700 0.208 0.000 0.974 241 T CA -0.310 61.905 62.100 0.192 0.000 0.893 241 T CB 0.556 69.463 68.868 0.066 0.000 1.138 241 T HN 0.613 nan 8.240 nan 0.000 0.529 242 G N -0.253 108.616 108.800 0.115 0.000 2.719 242 G HA2 0.562 4.522 3.960 -0.000 0.000 0.298 242 G HA3 0.562 4.522 3.960 -0.000 0.000 0.298 242 G C -1.720 173.047 174.900 -0.222 0.000 1.411 242 G CA -0.723 44.389 45.100 0.020 0.000 0.991 242 G HN 0.405 nan 8.290 nan 0.000 0.509 243 C N 2.235 121.368 119.300 -0.279 0.000 2.811 243 C HA 0.850 5.310 4.460 -0.000 0.000 0.352 243 C C -1.023 173.846 174.990 -0.203 0.000 1.098 243 C CA -0.489 58.286 59.018 -0.405 0.000 1.295 243 C CB -0.034 27.142 27.740 -0.941 0.000 1.758 243 C HN 0.940 nan 8.230 nan 0.000 0.488 244 I N 3.643 124.116 120.570 -0.161 0.000 2.842 244 I HA 0.611 4.781 4.170 -0.000 0.000 0.297 244 I C 0.367 176.421 176.117 -0.104 0.000 1.380 244 I CA -0.003 61.234 61.300 -0.104 0.000 1.018 244 I CB 1.991 39.937 38.000 -0.090 0.000 1.311 244 I HN 0.912 nan 8.210 nan 0.000 0.439 245 G N 3.499 112.239 108.800 -0.100 0.000 2.432 245 G HA2 0.074 4.034 3.960 -0.000 0.000 0.239 245 G HA3 0.074 4.034 3.960 -0.000 0.000 0.239 245 G C 0.667 175.486 174.900 -0.134 0.000 1.291 245 G CA 0.450 45.473 45.100 -0.128 0.000 0.863 245 G HN 0.865 nan 8.290 nan 0.000 0.560 246 D N 1.302 121.607 120.400 -0.157 0.000 2.116 246 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 246 D C 1.824 178.033 176.300 -0.151 0.000 0.998 246 D CA 1.426 55.340 54.000 -0.144 0.000 0.836 246 D CB -0.149 40.574 40.800 -0.128 0.000 0.951 246 D HN 0.355 nan 8.370 nan 0.000 0.449 247 Q N -0.058 119.611 119.800 -0.218 0.000 2.123 247 Q HA -0.050 4.290 4.340 -0.000 0.000 0.199 247 Q C 2.337 178.287 176.000 -0.083 0.000 0.966 247 Q CA 1.109 56.808 55.803 -0.172 0.000 0.845 247 Q CB -0.408 28.168 28.738 -0.271 0.000 0.907 247 Q HN 0.482 nan 8.270 nan 0.000 0.439 248 Q N 0.037 119.792 119.800 -0.075 0.000 2.124 248 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 248 Q C 2.176 178.173 176.000 -0.006 0.000 0.977 248 Q CA 1.395 57.193 55.803 -0.008 0.000 0.850 248 Q CB -0.309 28.430 28.738 0.002 0.000 0.901 248 Q HN 0.200 nan 8.270 nan 0.000 0.429 249 S N -0.194 115.473 115.700 -0.055 0.000 2.370 249 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 249 S C 1.912 176.458 174.600 -0.089 0.000 1.033 249 S CA 1.205 59.358 58.200 -0.080 0.000 1.011 249 S CB -0.322 62.818 63.200 -0.100 0.000 0.852 249 S HN 0.517 nan 8.310 nan 0.000 0.457 250 A N 0.024 122.797 122.820 -0.078 0.000 1.972 250 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 250 A C 2.444 179.976 177.584 -0.087 0.000 1.169 250 A CA 1.566 53.558 52.037 -0.076 0.000 0.635 250 A CB -1.281 17.695 19.000 -0.041 0.000 0.810 250 A HN 0.724 nan 8.150 nan 0.000 0.446 251 C N -0.308 118.954 119.300 -0.063 0.000 2.413 251 C HA -0.115 4.345 4.460 -0.000 0.000 0.276 251 C C 2.496 177.360 174.990 -0.210 0.000 1.248 251 C CA 0.801 59.770 59.018 -0.083 0.000 1.742 251 C CB -1.138 26.623 27.740 0.036 0.000 2.017 251 C HN 0.583 nan 8.230 nan 0.000 0.481 252 I N 1.682 122.172 120.570 -0.134 0.000 2.163 252 I HA -0.070 4.100 4.170 -0.000 0.000 0.240 252 I C 2.775 178.766 176.117 -0.210 0.000 1.081 252 I CA 2.142 63.369 61.300 -0.123 0.000 1.353 252 I CB -2.137 35.844 38.000 -0.033 0.000 1.054 252 I HN 0.366 nan 8.210 nan 0.000 0.407 253 G N 0.168 108.844 108.800 -0.207 0.000 2.470 253 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.220 253 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.220 253 G C 1.474 176.222 174.900 -0.253 0.000 1.121 253 G CA 0.278 45.221 45.100 -0.263 0.000 0.766 253 G HN 0.394 nan 8.290 nan 0.000 0.553 254 Q N -0.672 118.991 119.800 -0.228 0.000 2.319 254 Q HA 0.354 4.693 4.340 -0.000 0.000 0.202 254 Q C 1.526 177.357 176.000 -0.282 0.000 0.896 254 Q CA 0.477 56.173 55.803 -0.179 0.000 0.942 254 Q CB 0.454 29.117 28.738 -0.125 0.000 1.083 254 Q HN 0.511 nan 8.270 nan 0.000 0.510 255 A N 1.988 124.498 122.820 -0.517 0.000 2.745 255 A HA -0.189 4.131 4.320 -0.000 0.000 0.296 255 A C 0.528 177.577 177.584 -0.893 0.000 1.500 255 A CA 0.792 52.251 52.037 -0.964 0.000 0.766 255 A CB -2.588 16.259 19.000 -0.255 0.000 1.030 255 A HN 0.555 nan 8.150 nan 0.000 0.489 256 I N -3.732 116.402 120.570 -0.726 0.000 2.204 256 I HA 0.583 4.753 4.170 -0.000 0.000 0.291 256 I C 0.458 176.438 176.117 -0.228 0.000 1.153 256 I CA -0.391 60.710 61.300 -0.330 0.000 1.546 256 I CB -0.358 37.551 38.000 -0.151 0.000 1.490 256 I HN 0.095 nan 8.210 nan 0.000 0.697 257 F N 0.716 120.704 119.950 0.063 0.000 2.746 257 F HA 0.297 4.824 4.527 -0.000 0.000 0.297 257 F C 0.782 176.640 175.800 0.095 0.000 1.113 257 F CA -0.273 57.790 58.000 0.106 0.000 1.367 257 F CB -0.288 38.701 39.000 -0.019 0.000 1.111 257 F HN 0.330 nan 8.300 nan 0.000 0.590 258 D N 0.786 121.302 120.400 0.194 0.000 2.193 258 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 258 D C 0.010 176.364 176.300 0.089 0.000 1.034 258 D CA -0.413 53.661 54.000 0.124 0.000 0.902 258 D CB 1.012 41.864 40.800 0.086 0.000 1.182 258 D HN 0.124 nan 8.370 nan 0.000 0.436 259 E N 0.086 120.327 120.200 0.069 0.000 2.608 259 E HA 0.121 4.471 4.350 -0.000 0.000 0.259 259 E C 0.970 177.597 176.600 0.045 0.000 0.951 259 E CA 0.767 57.196 56.400 0.049 0.000 0.945 259 E CB 0.135 29.857 29.700 0.037 0.000 0.916 259 E HN 0.688 nan 8.360 nan 0.000 0.477 260 G N 3.611 112.434 108.800 0.039 0.000 2.225 260 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 260 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 260 G C -0.018 174.904 174.900 0.038 0.000 0.988 260 G CA 0.331 45.453 45.100 0.037 0.000 0.625 260 G HN 0.617 nan 8.290 nan 0.000 0.527 261 E N 0.745 120.968 120.200 0.038 0.000 2.373 261 E HA 0.553 4.903 4.350 -0.000 0.000 0.267 261 E C 0.309 176.918 176.600 0.015 0.000 1.032 261 E CA 0.407 56.823 56.400 0.026 0.000 0.889 261 E CB 1.257 30.965 29.700 0.013 0.000 0.984 261 E HN 0.824 nan 8.360 nan 0.000 0.425 262 A N 2.746 125.571 122.820 0.008 0.000 2.449 262 A HA 0.574 4.894 4.320 -0.000 0.000 0.302 262 A C -1.063 176.519 177.584 -0.002 0.000 1.048 262 A CA -0.940 51.100 52.037 0.005 0.000 0.708 262 A CB 1.344 20.347 19.000 0.006 0.000 1.274 262 A HN 0.568 nan 8.150 nan 0.000 0.410 263 K N -0.707 119.692 120.400 -0.002 0.000 2.444 263 K HA 0.800 5.120 4.320 -0.000 0.000 0.252 263 K C -1.104 175.495 176.600 -0.001 0.000 0.993 263 K CA -0.569 55.718 56.287 0.001 0.000 0.847 263 K CB 1.651 34.145 32.500 -0.010 0.000 1.340 263 K HN 0.878 nan 8.250 nan 0.000 0.446 264 C N 1.627 120.928 119.300 0.002 0.000 2.446 264 C HA 0.641 5.101 4.460 -0.000 0.000 0.329 264 C C -1.033 173.938 174.990 -0.032 0.000 1.166 264 C CA -0.062 58.919 59.018 -0.062 0.000 1.341 264 C CB 0.632 28.296 27.740 -0.127 0.000 1.970 264 C HN 0.843 nan 8.230 nan 0.000 0.452 265 T N 5.553 120.083 114.554 -0.041 0.000 2.795 265 T HA 0.459 4.809 4.350 -0.000 0.000 0.282 265 T C -1.139 173.538 174.700 -0.038 0.000 0.980 265 T CA 0.090 62.222 62.100 0.053 0.000 1.012 265 T CB 0.531 69.461 68.868 0.103 0.000 0.936 265 T HN 0.597 nan 8.240 nan 0.000 0.457 266 Y N 1.708 122.061 120.300 0.089 0.000 2.342 266 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 266 Y C 0.898 176.852 175.900 0.091 0.000 0.965 266 Y CA -0.413 57.738 58.100 0.085 0.000 1.159 266 Y CB 1.501 40.030 38.460 0.115 0.000 1.157 266 Y HN 0.911 nan 8.280 nan 0.000 0.486 267 G N 0.411 109.338 108.800 0.212 0.000 2.933 267 G HA2 0.133 4.093 3.960 -0.000 0.000 0.203 267 G HA3 0.133 4.093 3.960 -0.000 0.000 0.203 267 G C 0.537 175.549 174.900 0.187 0.000 1.170 267 G CA -0.274 44.943 45.100 0.194 0.000 0.880 267 G HN 0.331 nan 8.290 nan 0.000 0.573 268 T N 0.404 115.101 114.554 0.237 0.000 2.653 268 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 268 T C 1.316 176.194 174.700 0.297 0.000 1.035 268 T CA 1.951 64.215 62.100 0.275 0.000 1.154 268 T CB -0.565 68.533 68.868 0.385 0.000 0.862 268 T HN 0.796 nan 8.240 nan 0.000 0.441 269 G N -0.417 108.610 108.800 0.378 0.000 2.887 269 G HA2 0.577 4.537 3.960 -0.000 0.000 0.277 269 G HA3 0.577 4.537 3.960 -0.000 0.000 0.277 269 G C -1.483 173.257 174.900 -0.267 0.000 1.346 269 G CA -0.540 44.583 45.100 0.039 0.000 1.058 269 G HN 0.200 nan 8.290 nan 0.000 0.535 270 V N -0.055 119.410 119.914 -0.748 0.000 2.540 270 V HA 0.612 4.732 4.120 -0.000 0.000 0.302 270 V C -1.384 174.055 176.094 -1.091 0.000 1.035 270 V CA -0.461 61.441 62.300 -0.664 0.000 0.873 270 V CB 1.302 32.827 31.823 -0.496 0.000 0.992 270 V HN 0.512 nan 8.190 nan 0.000 0.428 271 F N 4.686 124.520 119.950 -0.194 0.000 2.579 271 F HA 0.564 5.091 4.527 -0.000 0.000 0.325 271 F C -0.342 175.387 175.800 -0.119 0.000 1.162 271 F CA -0.426 57.496 58.000 -0.130 0.000 0.946 271 F CB 1.722 40.657 39.000 -0.109 0.000 1.211 271 F HN 0.280 nan 8.300 nan 0.000 0.447 272 L N 5.017 126.252 121.223 0.020 0.000 2.282 272 L HA 0.704 5.044 4.340 -0.000 0.000 0.288 272 L C -1.543 175.361 176.870 0.058 0.000 1.033 272 L CA -0.701 54.141 54.840 0.003 0.000 0.807 272 L CB 0.894 42.929 42.059 -0.040 0.000 1.209 272 L HN 0.551 nan 8.230 nan 0.000 0.423 273 L N 6.067 127.319 121.223 0.048 0.000 2.365 273 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 273 L C -0.532 176.358 176.870 0.033 0.000 1.000 273 L CA -0.076 54.795 54.840 0.052 0.000 0.819 273 L CB 1.926 44.016 42.059 0.052 0.000 1.284 273 L HN 0.515 nan 8.230 nan 0.000 0.418 274 I N 2.607 123.198 120.570 0.035 0.000 2.433 274 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 274 I C -0.428 175.706 176.117 0.028 0.000 1.001 274 I CA -0.522 60.794 61.300 0.026 0.000 1.119 274 I CB 1.299 39.312 38.000 0.021 0.000 1.289 274 I HN 0.610 nan 8.210 nan 0.000 0.438 275 N N 4.576 123.293 118.700 0.030 0.000 2.442 275 N HA 0.059 4.799 4.740 -0.000 0.000 0.265 275 N C 0.407 175.932 175.510 0.026 0.000 1.138 275 N CA 0.208 53.275 53.050 0.029 0.000 0.956 275 N CB 1.087 39.609 38.487 0.059 0.000 1.067 275 N HN 0.721 nan 8.380 nan 0.000 0.474 276 T N 0.752 115.319 114.554 0.022 0.000 3.186 276 T HA 0.357 4.707 4.350 -0.000 0.000 0.257 276 T C 1.043 175.757 174.700 0.025 0.000 1.029 276 T CA 0.171 62.282 62.100 0.018 0.000 0.916 276 T CB -0.409 68.460 68.868 0.001 0.000 1.041 276 T HN 0.657 nan 8.240 nan 0.000 0.562 277 G N 2.373 111.187 108.800 0.024 0.000 2.564 277 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.273 277 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.273 277 G C 0.414 175.344 174.900 0.049 0.000 1.242 277 G CA 0.242 45.355 45.100 0.022 0.000 0.951 277 G HN 0.446 nan 8.290 nan 0.000 0.564 278 E N 0.710 120.941 120.200 0.052 0.000 2.482 278 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 278 E C 1.261 177.936 176.600 0.125 0.000 1.047 278 E CA 0.580 57.045 56.400 0.108 0.000 0.869 278 E CB 0.122 29.854 29.700 0.053 0.000 0.836 278 E HN 0.426 nan 8.360 nan 0.000 0.520 279 K N 1.560 121.975 120.400 0.025 0.000 2.234 279 K HA 0.177 4.497 4.320 -0.000 0.000 0.282 279 K C -0.665 175.777 176.600 -0.263 0.000 1.039 279 K CA -0.320 55.908 56.287 -0.098 0.000 0.928 279 K CB 1.076 33.535 32.500 -0.069 0.000 1.039 279 K HN -0.198 nan 8.250 nan 0.000 0.470 280 V N 5.220 124.819 119.914 -0.525 0.000 2.455 280 V HA 0.114 4.234 4.120 -0.000 0.000 0.273 280 V C -0.219 175.544 176.094 -0.551 0.000 1.045 280 V CA -0.592 61.219 62.300 -0.815 0.000 0.976 280 V CB 1.085 32.316 31.823 -0.987 0.000 0.993 280 V HN 0.481 nan 8.190 nan 0.000 0.475 281 V N 6.254 125.892 119.914 -0.460 0.000 2.384 281 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 281 V C -0.768 175.126 176.094 -0.333 0.000 1.020 281 V CA -0.771 61.357 62.300 -0.288 0.000 0.850 281 V CB 1.292 33.038 31.823 -0.129 0.000 0.987 281 V HN 0.696 nan 8.190 nan 0.000 0.436 282 Y N 2.224 122.478 120.300 -0.076 0.000 2.328 282 Y HA 0.444 4.994 4.550 -0.000 0.000 0.337 282 Y C 0.867 176.735 175.900 -0.054 0.000 1.008 282 Y CA -0.116 57.937 58.100 -0.078 0.000 1.129 282 Y CB 1.870 40.281 38.460 -0.083 0.000 1.185 282 Y HN 0.620 nan 8.280 nan 0.000 0.476 283 S N 0.949 116.705 115.700 0.093 0.000 2.576 283 S HA 0.143 4.613 4.470 -0.000 0.000 0.276 283 S C 0.951 175.591 174.600 0.066 0.000 1.339 283 S CA -0.025 58.212 58.200 0.062 0.000 1.039 283 S CB 0.325 63.556 63.200 0.053 0.000 0.902 283 S HN 0.835 nan 8.310 nan 0.000 0.516 284 T N 0.244 114.845 114.554 0.077 0.000 3.129 284 T HA 0.239 4.589 4.350 -0.000 0.000 0.267 284 T C 0.472 175.239 174.700 0.112 0.000 1.018 284 T CA -0.282 61.874 62.100 0.093 0.000 0.903 284 T CB -0.644 68.269 68.868 0.076 0.000 1.067 284 T HN 0.477 nan 8.240 nan 0.000 0.549 285 C N 1.158 120.529 119.300 0.117 0.000 3.226 285 C HA 0.748 5.208 4.460 -0.000 0.000 0.258 285 C C 1.869 176.965 174.990 0.176 0.000 1.688 285 C CA -0.501 58.593 59.018 0.127 0.000 1.774 285 C CB -0.652 27.143 27.740 0.092 0.000 3.167 285 C HN 0.845 nan 8.230 nan 0.000 0.509 286 G N 1.369 110.306 108.800 0.228 0.000 2.143 286 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.249 286 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.249 286 G C -0.100 175.057 174.900 0.428 0.000 0.981 286 G CA 0.076 45.404 45.100 0.379 0.000 0.665 286 G HN 0.526 nan 8.290 nan 0.000 0.528 287 L N 0.146 121.514 121.223 0.242 0.000 2.360 287 L HA 0.653 4.993 4.340 -0.000 0.000 0.271 287 L C 0.906 177.863 176.870 0.145 0.000 1.057 287 L CA -1.130 53.846 54.840 0.227 0.000 0.803 287 L CB 1.403 43.548 42.059 0.143 0.000 1.207 287 L HN 0.006 nan 8.230 nan 0.000 0.445 288 I N 0.766 121.444 120.570 0.180 0.000 2.353 288 I HA 0.163 4.333 4.170 -0.000 0.000 0.293 288 I C 0.053 176.226 176.117 0.094 0.000 0.992 288 I CA -0.286 61.072 61.300 0.097 0.000 1.268 288 I CB 1.797 39.914 38.000 0.194 0.000 1.387 288 I HN 0.555 nan 8.210 nan 0.000 0.478 289 T N 4.313 118.893 114.554 0.044 0.000 2.761 289 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 289 T C 0.049 174.809 174.700 0.101 0.000 0.934 289 T CA -0.046 62.065 62.100 0.018 0.000 1.091 289 T CB 0.813 69.611 68.868 -0.117 0.000 0.896 289 T HN 0.646 nan 8.240 nan 0.000 0.515 290 T N 2.461 117.091 114.554 0.128 0.000 2.838 290 T HA 0.574 4.924 4.350 -0.000 0.000 0.292 290 T C -0.791 173.975 174.700 0.110 0.000 1.113 290 T CA -0.884 61.296 62.100 0.132 0.000 1.008 290 T CB 0.767 69.704 68.868 0.115 0.000 1.259 290 T HN 0.303 nan 8.240 nan 0.000 0.520 291 I N 2.661 123.229 120.570 -0.004 0.000 2.416 291 I HA 0.212 4.382 4.170 -0.000 0.000 0.288 291 I C 1.722 177.745 176.117 -0.157 0.000 1.051 291 I CA -0.100 61.084 61.300 -0.194 0.000 1.375 291 I CB 0.532 38.399 38.000 -0.221 0.000 1.407 291 I HN 0.831 nan 8.210 nan 0.000 0.516 292 C N 7.957 127.111 119.300 -0.244 0.000 2.518 292 C HA -0.000 4.460 4.460 -0.000 0.000 0.279 292 C C 0.344 175.304 174.990 -0.050 0.000 1.279 292 C CA 0.702 59.616 59.018 -0.173 0.000 1.703 292 C CB -0.450 27.112 27.740 -0.295 0.000 2.072 292 C HN 0.754 nan 8.230 nan 0.000 0.487 293 Y N -1.525 118.768 120.300 -0.012 0.000 2.702 293 Y HA 0.546 5.096 4.550 -0.000 0.000 0.336 293 Y C -0.829 175.095 175.900 0.039 0.000 1.203 293 Y CA -1.634 56.510 58.100 0.073 0.000 1.072 293 Y CB 0.386 39.013 38.460 0.278 0.000 1.327 293 Y HN 0.049 nan 8.280 nan 0.000 0.456 294 K N 1.782 122.355 120.400 0.288 0.000 2.731 294 K HA 0.380 4.700 4.320 -0.000 0.000 0.257 294 K C -1.102 175.698 176.600 0.333 0.000 1.032 294 K CA -0.534 55.877 56.287 0.207 0.000 0.983 294 K CB 0.523 33.031 32.500 0.014 0.000 1.248 294 K HN 0.571 nan 8.250 nan 0.000 0.484 295 F N 1.000 121.000 119.950 0.083 0.000 2.060 295 F HA 0.007 4.534 4.527 -0.000 0.000 0.295 295 F C 0.982 176.782 175.800 -0.000 0.000 1.120 295 F CA 0.817 58.835 58.000 0.031 0.000 1.205 295 F CB -0.104 38.888 39.000 -0.013 0.000 0.986 295 F HN 0.448 nan 8.300 nan 0.000 0.470 296 N N 0.237 119.048 118.700 0.186 0.000 2.335 296 N HA 0.087 4.827 4.740 -0.000 0.000 0.304 296 N C 0.482 176.008 175.510 0.027 0.000 1.135 296 N CA -0.431 52.662 53.050 0.072 0.000 0.817 296 N CB 1.187 39.708 38.487 0.057 0.000 1.294 296 N HN -0.071 nan 8.380 nan 0.000 0.497 297 D N 0.230 120.625 120.400 -0.008 0.000 2.190 297 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 297 D C 0.503 176.794 176.300 -0.015 0.000 0.992 297 D CA 1.403 55.389 54.000 -0.023 0.000 0.854 297 D CB 0.148 40.925 40.800 -0.038 0.000 0.936 297 D HN 0.408 nan 8.370 nan 0.000 0.462 298 N N 0.989 119.683 118.700 -0.010 0.000 2.336 298 N HA -0.024 4.716 4.740 -0.000 0.000 0.189 298 N C -0.390 175.114 175.510 -0.010 0.000 1.113 298 N CA 0.222 53.266 53.050 -0.010 0.000 0.858 298 N CB 0.310 38.791 38.487 -0.010 0.000 0.970 298 N HN 0.164 nan 8.380 nan 0.000 0.471 299 D N 1.168 121.564 120.400 -0.006 0.000 2.345 299 D HA 0.100 4.740 4.640 -0.000 0.000 0.247 299 D C 0.440 176.728 176.300 -0.021 0.000 1.108 299 D CA 0.120 54.112 54.000 -0.013 0.000 0.894 299 D CB 1.260 42.059 40.800 -0.001 0.000 1.203 299 D HN -0.057 nan 8.370 nan 0.000 0.430 300 K N 2.867 123.252 120.400 -0.024 0.000 2.401 300 K HA 0.177 4.497 4.320 -0.000 0.000 0.278 300 K C -2.043 174.511 176.600 -0.077 0.000 1.018 300 K CA -1.121 55.149 56.287 -0.028 0.000 0.981 300 K CB 0.208 32.706 32.500 -0.004 0.000 0.933 300 K HN 0.270 nan 8.250 nan 0.000 0.477 301 P HA 0.059 nan 4.420 nan 0.000 0.272 301 P C -0.911 176.159 177.300 -0.384 0.000 1.223 301 P CA -0.209 62.702 63.100 -0.315 0.000 0.784 301 P CB 0.630 32.010 31.700 -0.534 0.000 0.923 302 K N 2.154 122.248 120.400 -0.510 0.000 2.183 302 K HA 0.348 4.667 4.320 -0.000 0.000 0.274 302 K C -0.055 176.202 176.600 -0.571 0.000 1.009 302 K CA -0.429 55.562 56.287 -0.492 0.000 0.888 302 K CB 0.467 32.535 32.500 -0.720 0.000 1.078 302 K HN 0.432 nan 8.250 nan 0.000 0.459 303 Y N -0.018 120.149 120.300 -0.222 0.000 2.480 303 Y HA 0.584 5.134 4.550 -0.000 0.000 0.323 303 Y C 0.486 176.304 175.900 -0.137 0.000 1.267 303 Y CA -0.522 57.477 58.100 -0.167 0.000 1.336 303 Y CB 1.624 39.994 38.460 -0.149 0.000 1.361 303 Y HN 0.639 nan 8.280 nan 0.000 0.518 304 A N 0.759 123.642 122.820 0.105 0.000 2.606 304 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 304 A C -2.012 175.605 177.584 0.055 0.000 1.082 304 A CA -0.757 51.310 52.037 0.050 0.000 0.685 304 A CB 1.199 20.217 19.000 0.030 0.000 1.284 304 A HN 0.663 nan 8.150 nan 0.000 0.408 305 L N 0.973 122.223 121.223 0.046 0.000 2.317 305 L HA 0.656 4.995 4.340 -0.000 0.000 0.281 305 L C -0.018 176.904 176.870 0.086 0.000 1.024 305 L CA -0.295 54.580 54.840 0.057 0.000 0.810 305 L CB 1.808 43.890 42.059 0.039 0.000 1.240 305 L HN 0.914 nan 8.230 nan 0.000 0.427 306 E N 1.747 122.025 120.200 0.129 0.000 2.272 306 E HA 0.570 4.920 4.350 -0.000 0.000 0.269 306 E C -0.942 175.786 176.600 0.214 0.000 0.877 306 E CA -0.721 55.781 56.400 0.170 0.000 0.755 306 E CB 2.195 32.027 29.700 0.221 0.000 1.192 306 E HN 0.665 nan 8.360 nan 0.000 0.422 307 G N 2.062 110.963 108.800 0.169 0.000 2.437 307 G HA2 0.443 4.403 3.960 -0.000 0.000 0.315 307 G HA3 0.443 4.403 3.960 -0.000 0.000 0.315 307 G C -0.905 174.052 174.900 0.094 0.000 1.210 307 G CA -0.459 44.722 45.100 0.134 0.000 0.943 307 G HN 0.350 nan 8.290 nan 0.000 0.471 308 S N 1.486 117.255 115.700 0.114 0.000 2.472 308 S HA 0.618 5.088 4.470 -0.000 0.000 0.303 308 S C -0.311 174.095 174.600 -0.322 0.000 1.099 308 S CA -0.451 57.732 58.200 -0.028 0.000 1.077 308 S CB 1.520 64.911 63.200 0.319 0.000 1.031 308 S HN 0.503 nan 8.310 nan 0.000 0.487 309 I N 1.934 122.136 120.570 -0.614 0.000 2.436 309 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 309 I C 1.163 176.950 176.117 -0.549 0.000 1.010 309 I CA -0.657 60.358 61.300 -0.476 0.000 1.098 309 I CB 1.953 39.741 38.000 -0.354 0.000 1.266 309 I HN 0.857 nan 8.210 nan 0.000 0.434 310 G N 3.572 112.054 108.800 -0.530 0.000 2.459 310 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.213 310 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.213 310 G C 0.578 175.417 174.900 -0.102 0.000 1.155 310 G CA 0.388 45.219 45.100 -0.447 0.000 0.811 310 G HN 0.496 nan 8.290 nan 0.000 0.534 311 T N 1.279 115.812 114.554 -0.036 0.000 2.762 311 T HA 0.656 5.006 4.350 -0.000 0.000 0.303 311 T C 0.393 175.105 174.700 0.020 0.000 0.977 311 T CA 0.192 62.325 62.100 0.055 0.000 0.961 311 T CB 1.514 70.477 68.868 0.158 0.000 0.944 311 T HN 0.365 nan 8.240 nan 0.000 0.481 312 A N 3.225 126.063 122.820 0.030 0.000 2.043 312 A HA 0.773 5.093 4.320 -0.000 0.000 0.183 312 A C 2.036 179.636 177.584 0.027 0.000 1.568 312 A CA 0.359 52.411 52.037 0.026 0.000 1.796 312 A CB -0.726 18.291 19.000 0.028 0.000 1.908 312 A HN 0.679 nan 8.150 nan 0.000 0.851 313 G N 0.740 109.572 108.800 0.053 0.000 2.469 313 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 313 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 313 G C 1.814 176.750 174.900 0.061 0.000 1.136 313 G CA 2.486 47.617 45.100 0.052 0.000 0.759 313 G HN 1.219 nan 8.290 nan 0.000 0.562 314 S N 0.626 116.375 115.700 0.082 0.000 2.382 314 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 314 S C 2.459 177.073 174.600 0.023 0.000 1.027 314 S CA 1.522 59.763 58.200 0.069 0.000 0.991 314 S CB -0.849 62.385 63.200 0.056 0.000 0.823 314 S HN 0.457 nan 8.310 nan 0.000 0.469 315 G N 1.470 110.286 108.800 0.027 0.000 2.421 315 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 315 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 315 G C 1.445 176.396 174.900 0.085 0.000 1.171 315 G CA 0.962 46.084 45.100 0.036 0.000 0.775 315 G HN 0.480 nan 8.290 nan 0.000 0.543 316 V N 1.164 121.102 119.914 0.039 0.000 2.407 316 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 316 V C 3.104 179.225 176.094 0.046 0.000 1.055 316 V CA 2.151 64.469 62.300 0.030 0.000 1.049 316 V CB -0.471 31.336 31.823 -0.026 0.000 0.662 316 V HN 0.351 nan 8.190 nan 0.000 0.455 317 S N -1.427 114.300 115.700 0.045 0.000 2.382 317 S HA -0.257 4.213 4.470 -0.000 0.000 0.228 317 S C 1.500 176.120 174.600 0.033 0.000 1.027 317 S CA 1.777 59.994 58.200 0.029 0.000 0.991 317 S CB -0.463 62.756 63.200 0.031 0.000 0.823 317 S HN 0.794 nan 8.310 nan 0.000 0.469 318 W N 2.304 123.509 121.300 -0.159 0.000 2.358 318 W HA -0.068 4.592 4.660 -0.000 0.000 0.303 318 W C 1.659 178.122 176.519 -0.093 0.000 1.208 318 W CA 1.054 58.273 57.345 -0.209 0.000 1.274 318 W CB -0.381 28.792 29.460 -0.478 0.000 1.138 318 W HN 0.181 nan 8.180 nan 0.000 0.515 319 L N 0.018 121.365 121.223 0.207 0.000 2.012 319 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 319 L C 2.476 179.294 176.870 -0.086 0.000 1.073 319 L CA 1.275 56.166 54.840 0.085 0.000 0.748 319 L CB -1.304 40.864 42.059 0.182 0.000 0.891 319 L HN 0.128 nan 8.230 nan 0.000 0.431 320 L N 0.330 121.516 121.223 -0.062 0.000 2.017 320 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 320 L C 2.580 179.366 176.870 -0.140 0.000 1.073 320 L CA 1.853 56.644 54.840 -0.080 0.000 0.745 320 L CB -0.628 41.399 42.059 -0.054 0.000 0.894 320 L HN 0.145 nan 8.230 nan 0.000 0.432 321 K N -0.552 119.733 120.400 -0.192 0.000 2.097 321 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 321 K C 1.056 177.483 176.600 -0.288 0.000 1.049 321 K CA 1.949 58.100 56.287 -0.226 0.000 0.933 321 K CB -0.126 32.220 32.500 -0.258 0.000 0.717 321 K HN 0.477 nan 8.250 nan 0.000 0.442 322 N N 0.294 118.738 118.700 -0.427 0.000 2.268 322 N HA 0.048 4.788 4.740 -0.000 0.000 0.204 322 N C -0.789 174.564 175.510 -0.261 0.000 1.124 322 N CA -0.068 52.721 53.050 -0.435 0.000 0.838 322 N CB 0.824 38.827 38.487 -0.806 0.000 0.994 322 N HN 0.055 nan 8.380 nan 0.000 0.489 323 K N -0.862 119.428 120.400 -0.183 0.000 3.467 323 K HA -0.169 4.151 4.320 -0.000 0.000 0.309 323 K C 0.478 177.039 176.600 -0.066 0.000 1.350 323 K CA 0.452 56.677 56.287 -0.104 0.000 0.934 323 K CB -2.034 30.414 32.500 -0.086 0.000 1.312 323 K HN 0.313 nan 8.250 nan 0.000 0.461 324 L N -0.053 121.133 121.223 -0.061 0.000 2.341 324 L HA 0.221 4.561 4.340 -0.000 0.000 0.214 324 L C 1.301 178.179 176.870 0.014 0.000 1.115 324 L CA 0.631 55.475 54.840 0.007 0.000 0.820 324 L CB 0.198 42.300 42.059 0.072 0.000 0.944 324 L HN 0.233 nan 8.230 nan 0.000 0.452 325 I N -1.181 119.384 120.570 -0.008 0.000 2.647 325 I HA 0.146 4.316 4.170 -0.000 0.000 0.295 325 I C -0.064 176.037 176.117 -0.027 0.000 1.078 325 I CA -0.466 60.827 61.300 -0.010 0.000 1.048 325 I CB 2.020 40.018 38.000 -0.003 0.000 1.239 325 I HN -0.121 nan 8.210 nan 0.000 0.421 326 D N 3.593 123.978 120.400 -0.025 0.000 2.213 326 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 326 D C -0.448 175.835 176.300 -0.028 0.000 0.961 326 D CA 1.189 55.172 54.000 -0.028 0.000 0.853 326 D CB 0.263 41.049 40.800 -0.023 0.000 0.967 326 D HN 0.552 nan 8.370 nan 0.000 0.496 327 D N -2.560 117.824 120.400 -0.026 0.000 2.769 327 D HA 0.152 4.792 4.640 -0.000 0.000 0.219 327 D C -2.227 174.056 176.300 -0.028 0.000 1.245 327 D CA -1.300 52.684 54.000 -0.026 0.000 0.801 327 D CB 2.191 42.978 40.800 -0.022 0.000 1.598 327 D HN -0.351 nan 8.370 nan 0.000 0.485 328 P HA -0.140 nan 4.420 nan 0.000 0.218 328 P C 1.077 178.351 177.300 -0.044 0.000 1.146 328 P CA 1.058 64.136 63.100 -0.037 0.000 0.813 328 P CB 0.056 31.738 31.700 -0.031 0.000 0.778 329 S N -0.507 115.174 115.700 -0.032 0.000 2.442 329 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 329 S C 1.709 176.291 174.600 -0.031 0.000 1.007 329 S CA 0.941 59.124 58.200 -0.028 0.000 0.965 329 S CB -1.054 62.135 63.200 -0.018 0.000 0.773 329 S HN 0.281 nan 8.310 nan 0.000 0.504 330 E N 1.463 121.644 120.200 -0.032 0.000 2.418 330 E HA 0.115 4.465 4.350 -0.000 0.000 0.197 330 E C 2.193 178.768 176.600 -0.040 0.000 1.026 330 E CA 0.541 56.923 56.400 -0.031 0.000 0.862 330 E CB -0.327 29.356 29.700 -0.028 0.000 0.799 330 E HN 0.737 nan 8.360 nan 0.000 0.518 331 A N 1.044 123.829 122.820 -0.059 0.000 1.978 331 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 331 A C 2.252 179.798 177.584 -0.065 0.000 1.170 331 A CA 1.759 53.748 52.037 -0.080 0.000 0.636 331 A CB -0.469 18.449 19.000 -0.138 0.000 0.810 331 A HN 0.234 nan 8.150 nan 0.000 0.448 332 S N -0.425 115.247 115.700 -0.047 0.000 2.355 332 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 332 S C 1.725 176.320 174.600 -0.010 0.000 1.031 332 S CA 1.557 59.746 58.200 -0.018 0.000 0.993 332 S CB -0.461 62.737 63.200 -0.004 0.000 0.859 332 S HN 0.553 nan 8.310 nan 0.000 0.453 333 D N 1.257 121.649 120.400 -0.014 0.000 2.117 333 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 333 D C 1.914 178.203 176.300 -0.018 0.000 0.987 333 D CA 1.080 55.074 54.000 -0.011 0.000 0.829 333 D CB -0.423 40.370 40.800 -0.012 0.000 0.961 333 D HN 0.454 nan 8.370 nan 0.000 0.460 334 I N 0.395 120.948 120.570 -0.028 0.000 2.163 334 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 334 I C 2.457 178.554 176.117 -0.033 0.000 1.085 334 I CA 0.971 62.248 61.300 -0.038 0.000 1.347 334 I CB -0.154 37.821 38.000 -0.042 0.000 1.044 334 I HN -0.006 nan 8.210 nan 0.000 0.408 335 M N -0.393 119.192 119.600 -0.025 0.000 2.394 335 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 335 M C 2.074 178.376 176.300 0.003 0.000 1.073 335 M CA 1.185 56.476 55.300 -0.015 0.000 1.111 335 M CB -0.217 32.378 32.600 -0.008 0.000 1.401 335 M HN 0.180 nan 8.290 nan 0.000 0.448 336 E N 0.832 121.036 120.200 0.007 0.000 2.047 336 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 336 E C 1.846 178.453 176.600 0.013 0.000 0.987 336 E CA 1.181 57.591 56.400 0.017 0.000 0.799 336 E CB -0.194 29.516 29.700 0.017 0.000 0.752 336 E HN 0.532 nan 8.360 nan 0.000 0.449 337 K N -0.070 120.329 120.400 -0.000 0.000 2.155 337 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 337 K C 0.795 177.392 176.600 -0.006 0.000 1.052 337 K CA 0.467 56.751 56.287 -0.004 0.000 0.948 337 K CB 0.153 32.641 32.500 -0.018 0.000 0.728 337 K HN 0.019 nan 8.250 nan 0.000 0.448 338 C N 2.835 122.124 119.300 -0.017 0.000 2.146 338 C HA 0.128 4.588 4.460 -0.000 0.000 0.338 338 C C 1.584 176.592 174.990 0.030 0.000 1.074 338 C CA -0.857 58.154 59.018 -0.013 0.000 1.527 338 C CB -0.393 27.303 27.740 -0.072 0.000 1.915 338 C HN 0.519 nan 8.230 nan 0.000 0.453 339 E N 2.427 122.661 120.200 0.057 0.000 2.208 339 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 339 E C 0.431 177.076 176.600 0.076 0.000 0.988 339 E CA 1.051 57.488 56.400 0.062 0.000 0.828 339 E CB 0.198 29.938 29.700 0.066 0.000 0.763 339 E HN 0.840 nan 8.360 nan 0.000 0.478 340 N N -0.796 117.967 118.700 0.105 0.000 2.934 340 N HA 0.050 4.790 4.740 -0.000 0.000 0.253 340 N C -0.037 175.579 175.510 0.177 0.000 1.466 340 N CA -0.221 52.898 53.050 0.114 0.000 0.858 340 N CB 1.218 39.772 38.487 0.111 0.000 1.459 340 N HN -0.080 nan 8.380 nan 0.000 0.532 341 T N -4.381 110.263 114.554 0.151 0.000 3.122 341 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 341 T C 0.475 175.186 174.700 0.019 0.000 1.067 341 T CA 0.578 62.785 62.100 0.178 0.000 0.966 341 T CB -1.445 67.520 68.868 0.162 0.000 1.002 341 T HN 1.494 nan 8.240 nan 0.000 0.542 342 T N -1.082 113.466 114.554 -0.010 0.000 3.852 342 T HA -0.169 4.181 4.350 -0.000 0.000 0.361 342 T C 1.591 176.274 174.700 -0.029 0.000 0.759 342 T CA 1.056 63.116 62.100 -0.067 0.000 1.899 342 T CB -2.626 66.115 68.868 -0.211 0.000 1.822 342 T HN 2.055 nan 8.240 nan 0.000 0.778 343 G N -1.647 107.173 108.800 0.033 0.000 2.179 343 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 343 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 343 G C 0.249 175.190 174.900 0.068 0.000 0.977 343 G CA -0.022 45.110 45.100 0.054 0.000 0.641 343 G HN 1.701 nan 8.290 nan 0.000 0.533 344 V N 1.272 121.226 119.914 0.066 0.000 2.673 344 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 344 V C 0.942 177.144 176.094 0.181 0.000 1.046 344 V CA 0.620 62.981 62.300 0.102 0.000 1.126 344 V CB 1.152 33.029 31.823 0.091 0.000 0.934 344 V HN 0.341 nan 8.190 nan 0.000 0.487 345 I N 4.806 125.506 120.570 0.216 0.000 2.608 345 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 345 I C -0.806 175.523 176.117 0.353 0.000 1.049 345 I CA -0.314 61.171 61.300 0.308 0.000 1.063 345 I CB 2.154 40.295 38.000 0.236 0.000 1.248 345 I HN 0.505 nan 8.210 nan 0.000 0.424 346 F N 6.151 126.260 119.950 0.264 0.000 2.445 346 F HA 0.488 5.015 4.527 0.000 0.000 0.348 346 F C -0.615 175.330 175.800 0.242 0.000 1.125 346 F CA -0.926 57.178 58.000 0.174 0.000 0.983 346 F CB 1.305 40.393 39.000 0.146 0.000 1.198 346 F HN 0.048 nan 8.300 nan 0.000 0.436 347 V N 7.410 127.601 119.914 0.460 0.000 2.339 347 V HA 0.203 4.323 4.120 -0.000 0.000 0.261 347 V C -2.214 174.013 176.094 0.221 0.000 1.058 347 V CA -1.567 60.897 62.300 0.273 0.000 0.897 347 V CB 0.346 32.156 31.823 -0.022 0.000 1.052 347 V HN 0.512 nan 8.190 nan 0.000 0.480 348 P HA 0.379 nan 4.420 nan 0.000 0.256 348 P C -0.035 177.214 177.300 -0.084 0.000 1.689 348 P CA 0.019 63.050 63.100 -0.115 0.000 1.124 348 P CB 0.812 32.452 31.700 -0.100 0.000 1.766 349 A N 1.965 124.638 122.820 -0.244 0.000 2.795 349 A HA 0.315 4.635 4.320 -0.000 0.000 0.282 349 A C 0.747 178.255 177.584 -0.127 0.000 0.964 349 A CA -0.286 51.693 52.037 -0.098 0.000 1.045 349 A CB -0.919 18.041 19.000 -0.068 0.000 1.174 349 A HN 0.188 nan 8.150 nan 0.000 0.493 350 F N 1.044 120.975 119.950 -0.031 0.000 2.161 350 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 350 F C 2.278 178.083 175.800 0.009 0.000 1.089 350 F CA 2.037 59.993 58.000 -0.073 0.000 1.282 350 F CB 0.123 39.026 39.000 -0.161 0.000 1.010 350 F HN 0.434 nan 8.300 nan 0.000 0.485 351 S N -0.611 115.239 115.700 0.249 0.000 2.526 351 S HA 0.596 5.066 4.470 -0.000 0.000 0.245 351 S C 0.514 175.192 174.600 0.131 0.000 1.103 351 S CA -0.067 58.260 58.200 0.212 0.000 1.095 351 S CB -0.385 62.963 63.200 0.246 0.000 0.826 351 S HN 0.641 nan 8.310 nan 0.000 0.468 352 G N 1.193 110.027 108.800 0.057 0.000 2.757 352 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.638 352 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.638 352 G C -0.893 173.997 174.900 -0.016 0.000 1.344 352 G CA -0.708 44.367 45.100 -0.042 0.000 0.855 352 G HN 0.608 nan 8.290 nan 0.000 0.537 353 L N 0.852 122.022 121.223 -0.088 0.000 2.275 353 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 353 L C 0.888 177.564 176.870 -0.323 0.000 1.046 353 L CA -0.817 53.973 54.840 -0.083 0.000 0.805 353 L CB 1.045 43.059 42.059 -0.076 0.000 1.193 353 L HN 0.677 nan 8.230 nan 0.000 0.426 354 Y N 1.827 121.826 120.300 -0.502 0.000 3.133 354 Y HA 0.432 4.982 4.550 -0.000 0.000 0.467 354 Y C 1.182 176.101 175.900 -1.635 0.000 1.219 354 Y CA -0.394 56.990 58.100 -1.194 0.000 1.802 354 Y CB 0.009 37.977 38.460 -0.821 0.000 1.541 354 Y HN 0.555 nan 8.280 nan 0.000 0.778 355 A N 1.533 123.701 122.820 -1.087 0.000 2.407 355 A HA 0.205 4.525 4.320 -0.000 0.000 0.248 355 A C -1.981 175.412 177.584 -0.319 0.000 1.082 355 A CA -1.031 50.597 52.037 -0.682 0.000 0.785 355 A CB -0.477 18.499 19.000 -0.040 0.000 1.020 355 A HN 0.448 nan 8.150 nan 0.000 0.489 356 P HA 0.112 nan 4.420 nan 0.000 0.267 356 P C 0.795 178.101 177.300 0.009 0.000 1.289 356 P CA 0.255 63.338 63.100 -0.028 0.000 0.866 356 P CB 0.385 32.136 31.700 0.084 0.000 1.309 357 R N -1.414 119.014 120.500 -0.119 0.000 2.127 357 R HA 0.014 4.354 4.340 -0.000 0.000 0.217 357 R C 0.101 176.467 176.300 0.110 0.000 1.074 357 R CA 0.266 56.375 56.100 0.015 0.000 0.991 357 R CB -0.549 29.746 30.300 -0.008 0.000 0.895 357 R HN 0.059 nan 8.270 nan 0.000 0.450 358 W N 1.737 123.064 121.300 0.044 0.000 6.010 358 W HA -0.221 4.439 4.660 -0.000 0.000 0.428 358 W C -0.537 175.967 176.519 -0.024 0.000 1.718 358 W CA -0.024 57.325 57.345 0.006 0.000 1.002 358 W CB -0.845 28.648 29.460 0.056 0.000 2.937 358 W HN -0.003 nan 8.180 nan 0.000 1.351 359 R N 1.064 121.593 120.500 0.050 0.000 2.352 359 R HA 0.249 4.589 4.340 -0.000 0.000 0.304 359 R C 1.078 177.364 176.300 -0.023 0.000 1.104 359 R CA 0.341 56.455 56.100 0.023 0.000 0.991 359 R CB 1.011 31.309 30.300 -0.003 0.000 1.140 359 R HN 0.241 nan 8.270 nan 0.000 0.540 360 S N 0.238 115.933 115.700 -0.008 0.000 2.489 360 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 360 S C 1.064 175.652 174.600 -0.021 0.000 0.995 360 S CA 0.818 58.994 58.200 -0.040 0.000 0.934 360 S CB 0.045 63.231 63.200 -0.025 0.000 0.771 360 S HN 0.536 nan 8.310 nan 0.000 0.522 361 D N 2.366 122.760 120.400 -0.009 0.000 2.347 361 D HA 0.158 4.798 4.640 -0.000 0.000 0.215 361 D C 0.817 177.107 176.300 -0.016 0.000 0.976 361 D CA 0.492 54.489 54.000 -0.006 0.000 0.884 361 D CB -0.553 40.247 40.800 -0.001 0.000 0.915 361 D HN 0.517 nan 8.370 nan 0.000 0.526 362 A N 0.649 123.453 122.820 -0.028 0.000 2.483 362 A HA 0.387 4.707 4.320 -0.000 0.000 0.238 362 A C 0.451 178.009 177.584 -0.043 0.000 1.070 362 A CA -0.113 51.900 52.037 -0.040 0.000 0.770 362 A CB 0.464 19.436 19.000 -0.048 0.000 1.008 362 A HN 0.041 nan 8.150 nan 0.000 0.497 363 R N 0.152 120.612 120.500 -0.066 0.000 2.867 363 R HA 0.651 4.991 4.340 -0.000 0.000 0.268 363 R C -0.282 175.907 176.300 -0.184 0.000 1.014 363 R CA -0.432 55.610 56.100 -0.097 0.000 0.946 363 R CB 1.651 31.909 30.300 -0.070 0.000 1.208 363 R HN 0.875 nan 8.270 nan 0.000 0.477 364 A N 1.097 123.715 122.820 -0.336 0.000 2.450 364 A HA 0.461 4.781 4.320 -0.000 0.000 0.255 364 A C -0.445 176.915 177.584 -0.373 0.000 1.096 364 A CA 0.218 51.947 52.037 -0.513 0.000 0.778 364 A CB 0.161 18.327 19.000 -1.391 0.000 1.031 364 A HN 0.550 nan 8.150 nan 0.000 0.494 365 S N 1.333 116.838 115.700 -0.325 0.000 2.547 365 S HA 0.646 5.116 4.470 -0.000 0.000 0.281 365 S C -0.719 173.489 174.600 -0.654 0.000 1.118 365 S CA -0.340 57.573 58.200 -0.477 0.000 0.947 365 S CB 1.258 64.228 63.200 -0.382 0.000 1.053 365 S HN 0.573 nan 8.310 nan 0.000 0.482 366 I N 2.842 122.911 120.570 -0.835 0.000 2.436 366 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 366 I C -1.430 174.266 176.117 -0.700 0.000 1.010 366 I CA -0.667 60.205 61.300 -0.713 0.000 1.098 366 I CB 1.297 38.896 38.000 -0.668 0.000 1.266 366 I HN 0.580 nan 8.210 nan 0.000 0.434 367 Y N 2.226 122.441 120.300 -0.142 0.000 2.562 367 Y HA 0.634 5.184 4.550 -0.000 0.000 0.343 367 Y C 1.049 176.904 175.900 -0.075 0.000 1.025 367 Y CA -0.603 57.434 58.100 -0.105 0.000 1.082 367 Y CB 2.098 40.500 38.460 -0.096 0.000 1.264 367 Y HN 0.756 nan 8.280 nan 0.000 0.478 368 G N 0.753 109.610 108.800 0.094 0.000 2.157 368 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.239 368 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.239 368 G C -0.162 174.725 174.900 -0.021 0.000 0.982 368 G CA -0.350 44.770 45.100 0.034 0.000 0.650 368 G HN 0.440 nan 8.290 nan 0.000 0.527 369 M N 1.674 121.244 119.600 -0.051 0.000 2.233 369 M HA 0.484 4.964 4.480 -0.000 0.000 0.350 369 M C 1.037 177.259 176.300 -0.130 0.000 1.176 369 M CA 0.805 56.056 55.300 -0.082 0.000 1.150 369 M CB 0.851 33.400 32.600 -0.084 0.000 1.530 369 M HN 0.463 nan 8.290 nan 0.000 0.459 370 T N -1.799 112.677 114.554 -0.129 0.000 2.883 370 T HA 0.495 4.845 4.350 -0.000 0.000 0.284 370 T C 0.499 175.116 174.700 -0.140 0.000 1.041 370 T CA -0.807 61.188 62.100 -0.174 0.000 1.007 370 T CB 0.747 69.565 68.868 -0.084 0.000 1.220 370 T HN 0.415 nan 8.240 nan 0.000 0.552 371 F N 1.011 120.961 119.950 0.000 0.000 2.269 371 F HA 0.049 4.576 4.527 -0.000 0.000 0.301 371 F C 2.646 178.458 175.800 0.020 0.000 1.082 371 F CA 0.994 59.000 58.000 0.010 0.000 1.360 371 F CB -0.639 38.366 39.000 0.009 0.000 1.041 371 F HN 0.686 nan 8.300 nan 0.000 0.512 372 N N 0.065 118.866 118.700 0.169 0.000 2.381 372 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 372 N C 0.139 175.714 175.510 0.109 0.000 1.025 372 N CA 0.661 53.779 53.050 0.114 0.000 0.888 372 N CB -0.043 38.480 38.487 0.060 0.000 0.965 372 N HN 0.120 nan 8.380 nan 0.000 0.438 373 T N 1.802 116.390 114.554 0.055 0.000 2.928 373 T HA 0.092 4.442 4.350 -0.000 0.000 0.305 373 T C -0.057 174.792 174.700 0.248 0.000 1.035 373 T CA 0.358 62.514 62.100 0.094 0.000 1.145 373 T CB 1.117 69.995 68.868 0.017 0.000 0.963 373 T HN 0.159 nan 8.240 nan 0.000 0.545 374 E N 1.644 122.122 120.200 0.464 0.000 2.339 374 E HA 0.349 4.699 4.350 -0.000 0.000 0.262 374 E C 1.018 177.713 176.600 0.158 0.000 0.934 374 E CA -1.070 55.465 56.400 0.224 0.000 0.802 374 E CB 1.686 31.442 29.700 0.094 0.000 1.275 374 E HN 0.444 nan 8.360 nan 0.000 0.427 375 R N 0.459 121.009 120.500 0.084 0.000 2.113 375 R HA -0.215 4.125 4.340 -0.000 0.000 0.244 375 R C 2.430 178.763 176.300 0.055 0.000 1.142 375 R CA 2.269 58.413 56.100 0.073 0.000 0.953 375 R CB -0.518 29.805 30.300 0.038 0.000 0.860 375 R HN 0.602 nan 8.270 nan 0.000 0.438 376 S N 0.569 116.250 115.700 -0.033 0.000 2.365 376 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 376 S C 1.848 176.411 174.600 -0.062 0.000 1.039 376 S CA 1.371 59.511 58.200 -0.100 0.000 1.033 376 S CB -0.666 62.401 63.200 -0.222 0.000 0.887 376 S HN 0.428 nan 8.310 nan 0.000 0.447 377 H N 1.349 120.459 119.070 0.067 0.000 2.389 377 H HA 0.139 4.695 4.556 -0.000 0.000 0.299 377 H C 2.280 177.678 175.328 0.115 0.000 1.081 377 H CA 1.467 57.560 56.048 0.076 0.000 1.345 377 H CB -0.367 29.438 29.762 0.071 0.000 1.393 377 H HN 0.465 nan 8.280 nan 0.000 0.520 378 I N 0.338 121.065 120.570 0.262 0.000 2.202 378 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 378 I C 2.549 178.862 176.117 0.325 0.000 1.091 378 I CA 0.647 62.126 61.300 0.298 0.000 1.368 378 I CB -0.286 37.873 38.000 0.265 0.000 1.058 378 I HN -0.020 nan 8.210 nan 0.000 0.410 379 V N 1.034 121.073 119.914 0.207 0.000 2.255 379 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 379 V C 2.668 178.810 176.094 0.079 0.000 1.051 379 V CA 2.259 64.636 62.300 0.128 0.000 1.018 379 V CB -0.837 31.023 31.823 0.062 0.000 0.641 379 V HN 0.437 nan 8.190 nan 0.000 0.445 380 R N 0.118 120.659 120.500 0.068 0.000 2.105 380 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 380 R C 2.235 178.565 176.300 0.049 0.000 1.135 380 R CA 1.735 57.849 56.100 0.024 0.000 0.967 380 R CB -0.417 29.894 30.300 0.017 0.000 0.861 380 R HN 0.509 nan 8.270 nan 0.000 0.442 381 A N 1.060 123.977 122.820 0.162 0.000 1.930 381 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 381 A C 2.122 179.843 177.584 0.229 0.000 1.175 381 A CA 1.125 53.308 52.037 0.243 0.000 0.627 381 A CB -0.540 18.671 19.000 0.352 0.000 0.815 381 A HN 0.453 nan 8.150 nan 0.000 0.443 382 L N -0.431 120.869 121.223 0.128 0.000 2.046 382 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 382 L C 2.343 179.190 176.870 -0.039 0.000 1.077 382 L CA 1.488 56.222 54.840 -0.177 0.000 0.747 382 L CB -0.211 41.598 42.059 -0.417 0.000 0.896 382 L HN 0.411 nan 8.230 nan 0.000 0.432 383 L N -0.590 120.626 121.223 -0.012 0.000 2.056 383 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 383 L C 2.574 179.531 176.870 0.145 0.000 1.078 383 L CA 1.388 56.248 54.840 0.033 0.000 0.749 383 L CB -0.630 41.396 42.059 -0.055 0.000 0.901 383 L HN 0.332 nan 8.230 nan 0.000 0.433 384 E N 0.160 120.355 120.200 -0.008 0.000 2.085 384 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 384 E C 2.195 178.837 176.600 0.070 0.000 0.994 384 E CA 1.152 57.494 56.400 -0.096 0.000 0.801 384 E CB -0.366 29.241 29.700 -0.155 0.000 0.743 384 E HN 0.573 nan 8.360 nan 0.000 0.453 385 G N 1.463 110.380 108.800 0.194 0.000 2.462 385 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 385 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 385 G C 1.571 176.445 174.900 -0.044 0.000 1.121 385 G CA 0.646 45.818 45.100 0.119 0.000 0.758 385 G HN 0.136 nan 8.290 nan 0.000 0.559 386 I N 1.296 121.893 120.570 0.044 0.000 2.142 386 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 386 I C 3.317 179.410 176.117 -0.040 0.000 1.078 386 I CA 1.108 62.445 61.300 0.063 0.000 1.343 386 I CB -0.426 37.726 38.000 0.254 0.000 1.046 386 I HN 0.233 nan 8.210 nan 0.000 0.405 387 A N 0.995 123.768 122.820 -0.078 0.000 1.883 387 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 387 A C 2.108 179.456 177.584 -0.393 0.000 1.186 387 A CA 1.726 53.609 52.037 -0.257 0.000 0.624 387 A CB -1.067 17.776 19.000 -0.261 0.000 0.822 387 A HN 0.333 nan 8.150 nan 0.000 0.444 388 F N 0.125 119.805 119.950 -0.450 0.000 2.161 388 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 388 F C 2.726 178.133 175.800 -0.655 0.000 1.089 388 F CA 1.709 59.204 58.000 -0.842 0.000 1.282 388 F CB -0.727 37.112 39.000 -1.935 0.000 1.010 388 F HN 0.317 nan 8.300 nan 0.000 0.485 389 Q N -0.568 119.043 119.800 -0.315 0.000 2.079 389 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 389 Q C 2.264 178.210 176.000 -0.089 0.000 0.974 389 Q CA 1.239 56.993 55.803 -0.081 0.000 0.840 389 Q CB -0.491 28.235 28.738 -0.020 0.000 0.898 389 Q HN 0.334 nan 8.270 nan 0.000 0.430 390 L N 1.381 122.524 121.223 -0.134 0.000 2.083 390 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 390 L C 1.891 178.698 176.870 -0.106 0.000 1.083 390 L CA 1.820 56.581 54.840 -0.131 0.000 0.752 390 L CB -0.602 41.367 42.059 -0.150 0.000 0.899 390 L HN 0.181 nan 8.230 nan 0.000 0.433 391 N N -0.219 118.409 118.700 -0.120 0.000 2.120 391 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 391 N C 1.729 177.224 175.510 -0.026 0.000 1.024 391 N CA 1.803 54.803 53.050 -0.083 0.000 0.852 391 N CB -0.078 38.354 38.487 -0.091 0.000 1.003 391 N HN 0.519 nan 8.380 nan 0.000 0.424 392 E N -0.111 120.090 120.200 0.002 0.000 2.085 392 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 392 E C 2.073 178.687 176.600 0.023 0.000 0.994 392 E CA 1.116 57.541 56.400 0.043 0.000 0.801 392 E CB -0.169 29.588 29.700 0.095 0.000 0.743 392 E HN 0.484 nan 8.360 nan 0.000 0.453 393 I N 0.836 121.405 120.570 -0.002 0.000 2.163 393 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 393 I C 2.406 178.523 176.117 -0.000 0.000 1.085 393 I CA 0.953 62.252 61.300 -0.002 0.000 1.347 393 I CB -0.238 37.743 38.000 -0.032 0.000 1.044 393 I HN -0.014 nan 8.210 nan 0.000 0.408 394 V N 0.485 120.387 119.914 -0.020 0.000 2.407 394 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 394 V C 2.222 178.311 176.094 -0.008 0.000 1.055 394 V CA 2.087 64.374 62.300 -0.022 0.000 1.049 394 V CB -0.641 31.157 31.823 -0.042 0.000 0.662 394 V HN 0.457 nan 8.190 nan 0.000 0.455 395 D N 0.127 120.528 120.400 0.001 0.000 2.117 395 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 395 D C 2.377 178.691 176.300 0.024 0.000 0.987 395 D CA 1.750 55.758 54.000 0.013 0.000 0.829 395 D CB -0.038 40.777 40.800 0.024 0.000 0.961 395 D HN 0.391 nan 8.370 nan 0.000 0.460 396 S N -0.020 115.702 115.700 0.036 0.000 2.368 396 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 396 S C 2.017 176.641 174.600 0.040 0.000 1.030 396 S CA 0.719 58.949 58.200 0.050 0.000 0.999 396 S CB -0.327 62.917 63.200 0.073 0.000 0.844 396 S HN 0.393 nan 8.310 nan 0.000 0.459 397 L N 1.720 122.961 121.223 0.030 0.000 2.017 397 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 397 L C 2.616 179.493 176.870 0.011 0.000 1.073 397 L CA 1.981 56.835 54.840 0.022 0.000 0.745 397 L CB -1.011 41.055 42.059 0.013 0.000 0.894 397 L HN 0.499 nan 8.230 nan 0.000 0.432 398 T N -3.708 110.848 114.554 0.002 0.000 2.788 398 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 398 T C 1.921 176.623 174.700 0.003 0.000 1.044 398 T CA 1.412 63.508 62.100 -0.007 0.000 1.139 398 T CB -0.575 68.282 68.868 -0.018 0.000 0.867 398 T HN 0.380 nan 8.240 nan 0.000 0.454 399 S N 1.759 117.467 115.700 0.014 0.000 2.348 399 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 399 S C 1.903 176.517 174.600 0.023 0.000 1.033 399 S CA 1.329 59.541 58.200 0.020 0.000 1.010 399 S CB -0.625 62.592 63.200 0.029 0.000 0.891 399 S HN 0.529 nan 8.310 nan 0.000 0.442 400 D N 0.951 121.368 120.400 0.028 0.000 2.182 400 D HA -0.041 4.599 4.640 -0.000 0.000 0.201 400 D C 1.490 177.800 176.300 0.017 0.000 0.986 400 D CA 0.945 54.962 54.000 0.028 0.000 0.847 400 D CB -0.131 40.689 40.800 0.034 0.000 0.942 400 D HN 0.282 nan 8.370 nan 0.000 0.467 401 M N -0.934 118.673 119.600 0.011 0.000 2.556 401 M HA 0.164 4.644 4.480 -0.000 0.000 0.245 401 M C 1.184 177.487 176.300 0.005 0.000 1.128 401 M CA 0.296 55.599 55.300 0.006 0.000 1.069 401 M CB -0.370 32.231 32.600 0.003 0.000 1.469 401 M HN 0.038 nan 8.290 nan 0.000 0.494 402 G N 2.973 111.776 108.800 0.006 0.000 2.249 402 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 402 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 402 G C 0.160 175.060 174.900 0.000 0.000 1.036 402 G CA 0.732 45.836 45.100 0.005 0.000 0.824 402 G HN 0.614 nan 8.290 nan 0.000 0.504 403 I N -4.874 115.691 120.570 -0.008 0.000 2.910 403 I HA 0.864 5.034 4.170 -0.000 0.000 0.310 403 I C 0.894 176.993 176.117 -0.029 0.000 1.043 403 I CA -1.292 59.995 61.300 -0.023 0.000 1.053 403 I CB 1.748 39.724 38.000 -0.040 0.000 1.242 403 I HN -0.099 nan 8.210 nan 0.000 0.452 404 E N 1.938 122.113 120.200 -0.041 0.000 2.276 404 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 404 E C -0.277 176.286 176.600 -0.061 0.000 0.983 404 E CA 0.847 57.224 56.400 -0.039 0.000 0.861 404 E CB 0.316 29.999 29.700 -0.028 0.000 0.817 404 E HN 0.717 nan 8.360 nan 0.000 0.485 405 M N -1.782 117.753 119.600 -0.108 0.000 2.603 405 M HA 0.383 4.863 4.480 -0.000 0.000 0.275 405 M C -1.528 174.646 176.300 -0.210 0.000 1.226 405 M CA -0.726 54.491 55.300 -0.137 0.000 0.870 405 M CB 1.523 34.040 32.600 -0.138 0.000 1.716 405 M HN -0.288 nan 8.290 nan 0.000 0.482 406 L N 2.613 123.741 121.223 -0.158 0.000 2.326 406 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 406 L C 1.002 177.765 176.870 -0.177 0.000 1.092 406 L CA -0.580 54.169 54.840 -0.153 0.000 0.810 406 L CB 0.839 42.861 42.059 -0.062 0.000 1.153 406 L HN 0.793 nan 8.230 nan 0.000 0.439 407 H N 2.094 121.168 119.070 0.007 0.000 2.389 407 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 407 H C 0.111 175.443 175.328 0.008 0.000 1.081 407 H CA 0.959 57.013 56.048 0.010 0.000 1.345 407 H CB 0.599 30.368 29.762 0.012 0.000 1.393 407 H HN 0.292 nan 8.280 nan 0.000 0.520 408 V N 0.507 120.484 119.914 0.105 0.000 3.120 408 V HA 0.328 4.448 4.120 -0.000 0.000 0.303 408 V C -1.656 174.455 176.094 0.028 0.000 1.238 408 V CA -0.958 61.374 62.300 0.052 0.000 1.008 408 V CB 2.780 34.631 31.823 0.047 0.000 1.064 408 V HN 0.047 nan 8.190 nan 0.000 0.434 409 L N 5.877 127.110 121.223 0.015 0.000 2.298 409 L HA 0.658 4.997 4.340 -0.000 0.000 0.284 409 L C 0.018 176.905 176.870 0.028 0.000 1.013 409 L CA -0.055 54.794 54.840 0.014 0.000 0.824 409 L CB 1.386 43.448 42.059 0.004 0.000 1.221 409 L HN 0.667 nan 8.230 nan 0.000 0.418 410 R N 4.248 124.764 120.500 0.027 0.000 2.308 410 R HA 0.534 4.874 4.340 -0.000 0.000 0.305 410 R C -1.057 175.279 176.300 0.061 0.000 1.053 410 R CA -0.446 55.676 56.100 0.036 0.000 0.957 410 R CB 0.817 31.126 30.300 0.015 0.000 1.022 410 R HN 0.606 nan 8.270 nan 0.000 0.461 411 C N 2.255 121.612 119.300 0.095 0.000 2.634 411 C HA 0.528 4.988 4.460 -0.000 0.000 0.313 411 C C -0.512 174.571 174.990 0.155 0.000 1.198 411 C CA -0.738 58.377 59.018 0.163 0.000 1.605 411 C CB 1.726 29.602 27.740 0.227 0.000 2.196 411 C HN 0.899 nan 8.230 nan 0.000 0.486 412 D N 0.413 120.935 120.400 0.202 0.000 2.583 412 D HA 0.651 5.291 4.640 -0.000 0.000 0.248 412 D C -0.534 175.899 176.300 0.222 0.000 1.209 412 D CA -0.115 53.987 54.000 0.169 0.000 0.848 412 D CB 2.024 42.893 40.800 0.116 0.000 1.431 412 D HN 1.194 nan 8.370 nan 0.000 0.436 413 G N -1.274 107.624 108.800 0.163 0.000 2.362 413 G HA2 0.295 4.255 3.960 -0.000 0.000 0.656 413 G HA3 0.295 4.255 3.960 -0.000 0.000 0.656 413 G C 0.636 175.601 174.900 0.109 0.000 1.376 413 G CA 0.032 45.229 45.100 0.162 0.000 0.971 413 G HN 0.793 nan 8.290 nan 0.000 0.636 414 G N -0.245 108.611 108.800 0.093 0.000 2.513 414 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 414 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 414 G C 1.878 176.781 174.900 0.005 0.000 1.160 414 G CA 1.827 46.957 45.100 0.050 0.000 0.767 414 G HN 0.746 nan 8.290 nan 0.000 0.571 415 M N 1.355 120.941 119.600 -0.024 0.000 2.460 415 M HA -0.042 4.438 4.480 -0.000 0.000 0.263 415 M C 2.685 178.938 176.300 -0.079 0.000 1.071 415 M CA 1.493 56.720 55.300 -0.121 0.000 1.096 415 M CB -0.289 32.180 32.600 -0.218 0.000 1.408 415 M HN 0.430 nan 8.290 nan 0.000 0.463 416 T N -2.465 112.043 114.554 -0.077 0.000 3.113 416 T HA -0.007 4.342 4.350 -0.000 0.000 0.263 416 T C 1.506 176.205 174.700 -0.002 0.000 1.143 416 T CA 0.498 62.542 62.100 -0.093 0.000 1.090 416 T CB -0.081 68.769 68.868 -0.030 0.000 0.922 416 T HN 0.155 nan 8.240 nan 0.000 0.521 417 K N 1.686 122.098 120.400 0.018 0.000 2.418 417 K HA 0.144 4.464 4.320 -0.000 0.000 0.195 417 K C 0.789 177.418 176.600 0.049 0.000 1.035 417 K CA 0.029 56.345 56.287 0.048 0.000 1.003 417 K CB -0.379 32.142 32.500 0.036 0.000 0.793 417 K HN 0.404 nan 8.250 nan 0.000 0.494 418 N N 2.141 120.856 118.700 0.024 0.000 2.482 418 N HA 0.038 4.778 4.740 -0.000 0.000 0.242 418 N C 0.379 175.914 175.510 0.042 0.000 1.100 418 N CA 0.180 53.250 53.050 0.032 0.000 0.946 418 N CB 0.662 39.146 38.487 -0.004 0.000 1.227 418 N HN -0.066 nan 8.380 nan 0.000 0.508 419 K N 3.213 123.663 120.400 0.084 0.000 2.026 419 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 419 K C -0.874 175.761 176.600 0.059 0.000 1.048 419 K CA 1.418 57.790 56.287 0.143 0.000 0.929 419 K CB -0.458 32.185 32.500 0.238 0.000 0.713 419 K HN 0.490 nan 8.250 nan 0.000 0.439 420 P HA -0.184 nan 4.420 nan 0.000 0.218 420 P C 1.210 178.540 177.300 0.049 0.000 1.149 420 P CA 1.126 64.264 63.100 0.064 0.000 0.817 420 P CB -0.002 31.735 31.700 0.062 0.000 0.785 421 F N 0.683 120.558 119.950 -0.124 0.000 2.102 421 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 421 F C 2.155 177.809 175.800 -0.243 0.000 1.105 421 F CA 1.573 59.476 58.000 -0.162 0.000 1.239 421 F CB -0.809 38.074 39.000 -0.195 0.000 0.991 421 F HN -0.281 nan 8.300 nan 0.000 0.474 422 M N -0.005 119.274 119.600 -0.534 0.000 2.159 422 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 422 M C 2.197 177.991 176.300 -0.844 0.000 1.063 422 M CA 1.420 56.146 55.300 -0.958 0.000 1.110 422 M CB -1.532 30.219 32.600 -1.415 0.000 1.374 422 M HN 0.286 nan 8.290 nan 0.000 0.411 423 Q N -0.075 119.413 119.800 -0.520 0.000 2.084 423 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 423 Q C 1.929 177.848 176.000 -0.134 0.000 0.978 423 Q CA 1.661 57.381 55.803 -0.138 0.000 0.844 423 Q CB -0.576 28.213 28.738 0.086 0.000 0.898 423 Q HN 0.420 nan 8.270 nan 0.000 0.426 424 F N 0.656 120.438 119.950 -0.280 0.000 2.134 424 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 424 F C 1.805 177.373 175.800 -0.387 0.000 1.097 424 F CA 1.681 59.509 58.000 -0.285 0.000 1.264 424 F CB -0.312 38.531 39.000 -0.262 0.000 1.001 424 F HN 0.201 nan 8.300 nan 0.000 0.479 425 N N -0.583 117.860 118.700 -0.428 0.000 2.069 425 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 425 N C 2.111 177.399 175.510 -0.369 0.000 1.031 425 N CA 1.620 54.388 53.050 -0.470 0.000 0.852 425 N CB -0.500 37.667 38.487 -0.532 0.000 1.018 425 N HN 0.296 nan 8.380 nan 0.000 0.423 426 S N 1.001 116.520 115.700 -0.301 0.000 2.368 426 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 426 S C 1.301 175.793 174.600 -0.179 0.000 1.030 426 S CA 1.266 59.362 58.200 -0.173 0.000 0.999 426 S CB -0.159 63.008 63.200 -0.056 0.000 0.844 426 S HN 0.180 nan 8.310 nan 0.000 0.459 427 D N 1.234 121.490 120.400 -0.239 0.000 2.092 427 D HA -0.066 4.574 4.640 -0.000 0.000 0.193 427 D C 1.948 178.048 176.300 -0.334 0.000 0.994 427 D CA 1.115 54.961 54.000 -0.256 0.000 0.828 427 D CB -0.298 40.320 40.800 -0.303 0.000 0.963 427 D HN 0.353 nan 8.370 nan 0.000 0.450 428 I N 1.220 121.470 120.570 -0.533 0.000 2.333 428 I HA -0.102 4.068 4.170 -0.000 0.000 0.246 428 I C 2.433 178.375 176.117 -0.291 0.000 1.106 428 I CA 0.610 61.612 61.300 -0.497 0.000 1.411 428 I CB -0.875 36.635 38.000 -0.816 0.000 1.082 428 I HN 0.114 nan 8.210 nan 0.000 0.420 429 I N -0.916 119.495 120.570 -0.265 0.000 3.291 429 I HA 0.009 4.179 4.170 -0.000 0.000 0.279 429 I C 0.657 176.706 176.117 -0.114 0.000 1.294 429 I CA 0.423 61.626 61.300 -0.163 0.000 1.428 429 I CB -0.610 37.301 38.000 -0.147 0.000 1.070 429 I HN 0.200 nan 8.210 nan 0.000 0.478 430 N N 2.273 120.902 118.700 -0.119 0.000 2.705 430 N HA -0.168 4.572 4.740 -0.000 0.000 0.255 430 N C -1.080 174.402 175.510 -0.047 0.000 1.008 430 N CA 1.297 54.303 53.050 -0.073 0.000 0.742 430 N CB -1.217 37.236 38.487 -0.057 0.000 0.906 430 N HN 0.657 nan 8.380 nan 0.000 0.541 431 T N 0.612 115.137 114.554 -0.048 0.000 2.952 431 T HA 0.231 4.581 4.350 -0.000 0.000 0.305 431 T C -0.199 174.490 174.700 -0.019 0.000 1.064 431 T CA -0.821 61.261 62.100 -0.031 0.000 1.008 431 T CB 1.772 70.614 68.868 -0.044 0.000 1.078 431 T HN 0.308 nan 8.240 nan 0.000 0.459 432 K N 3.065 123.465 120.400 -0.000 0.000 2.451 432 K HA 0.322 4.642 4.320 -0.000 0.000 0.280 432 K C -0.770 175.809 176.600 -0.035 0.000 1.020 432 K CA 0.052 56.316 56.287 -0.039 0.000 1.008 432 K CB 0.211 32.696 32.500 -0.026 0.000 0.917 432 K HN 0.504 nan 8.250 nan 0.000 0.478 433 I N 3.955 124.508 120.570 -0.029 0.000 2.389 433 I HA 0.161 4.331 4.170 -0.000 0.000 0.288 433 I C -0.389 175.759 176.117 0.052 0.000 0.999 433 I CA -0.595 60.725 61.300 0.034 0.000 1.129 433 I CB 1.803 39.835 38.000 0.054 0.000 1.288 433 I HN 0.671 nan 8.210 nan 0.000 0.444 434 E N 5.822 126.046 120.200 0.039 0.000 2.133 434 E HA 0.430 4.780 4.350 -0.000 0.000 0.274 434 E C -1.291 175.353 176.600 0.073 0.000 0.930 434 E CA -0.660 55.762 56.400 0.036 0.000 0.770 434 E CB 1.627 31.334 29.700 0.011 0.000 1.104 434 E HN 0.321 nan 8.360 nan 0.000 0.403 435 V N 3.612 123.584 119.914 0.097 0.000 2.498 435 V HA 0.123 4.243 4.120 -0.000 0.000 0.279 435 V C 0.534 176.675 176.094 0.078 0.000 1.048 435 V CA -0.489 61.876 62.300 0.108 0.000 0.967 435 V CB 1.369 33.288 31.823 0.160 0.000 0.988 435 V HN 0.681 nan 8.190 nan 0.000 0.473 436 S N 3.184 118.937 115.700 0.089 0.000 2.568 436 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 436 S C 1.264 175.910 174.600 0.077 0.000 1.338 436 S CA -0.113 58.148 58.200 0.102 0.000 1.045 436 S CB 0.534 63.818 63.200 0.140 0.000 0.873 436 S HN 0.844 nan 8.310 nan 0.000 0.516 437 K N 3.184 123.601 120.400 0.028 0.000 2.026 437 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 437 K C -0.351 176.193 176.600 -0.093 0.000 1.048 437 K CA 1.228 57.456 56.287 -0.099 0.000 0.929 437 K CB -0.201 32.137 32.500 -0.270 0.000 0.713 437 K HN 0.714 nan 8.250 nan 0.000 0.439 438 Y N 1.918 122.234 120.300 0.027 0.000 2.537 438 Y HA -0.008 4.542 4.550 -0.000 0.000 0.339 438 Y C 1.034 176.953 175.900 0.032 0.000 1.066 438 Y CA 0.016 58.136 58.100 0.033 0.000 1.357 438 Y CB 0.773 39.243 38.460 0.017 0.000 1.175 438 Y HN 0.028 nan 8.280 nan 0.000 0.525 439 K N 1.126 121.623 120.400 0.163 0.000 2.116 439 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 439 K C 0.271 176.933 176.600 0.103 0.000 1.052 439 K CA 0.786 57.148 56.287 0.124 0.000 0.952 439 K CB 0.198 32.761 32.500 0.104 0.000 0.729 439 K HN 0.500 nan 8.250 nan 0.000 0.446 440 E N 2.480 122.732 120.200 0.087 0.000 2.773 440 E HA -0.033 4.317 4.350 -0.000 0.000 0.302 440 E C 1.300 177.845 176.600 -0.091 0.000 1.574 440 E CA 0.106 56.487 56.400 -0.032 0.000 1.775 440 E CB 0.087 29.677 29.700 -0.184 0.000 1.413 440 E HN 0.245 nan 8.360 nan 0.000 0.471 441 V N -2.124 117.770 119.914 -0.033 0.000 2.809 441 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 441 V C 1.906 177.916 176.094 -0.140 0.000 1.080 441 V CA 1.400 63.642 62.300 -0.096 0.000 1.102 441 V CB -0.757 31.032 31.823 -0.058 0.000 0.705 441 V HN 0.158 nan 8.190 nan 0.000 0.475 442 T N 2.224 116.716 114.554 -0.103 0.000 2.652 442 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 442 T C 2.196 176.805 174.700 -0.151 0.000 1.039 442 T CA 2.696 64.732 62.100 -0.107 0.000 1.153 442 T CB -0.610 68.223 68.868 -0.059 0.000 0.863 442 T HN 0.898 nan 8.240 nan 0.000 0.428 443 S N 1.686 117.257 115.700 -0.216 0.000 2.382 443 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 443 S C 2.052 176.508 174.600 -0.240 0.000 1.027 443 S CA 0.893 58.954 58.200 -0.232 0.000 0.991 443 S CB -0.729 62.105 63.200 -0.609 0.000 0.823 443 S HN 0.271 nan 8.310 nan 0.000 0.469 444 L N 2.699 123.733 121.223 -0.316 0.000 2.046 444 L HA 0.169 4.508 4.340 -0.000 0.000 0.208 444 L C 2.470 179.094 176.870 -0.409 0.000 1.077 444 L CA 1.963 56.492 54.840 -0.518 0.000 0.747 444 L CB -1.412 40.348 42.059 -0.500 0.000 0.896 444 L HN 0.400 nan 8.230 nan 0.000 0.432 445 G N -1.288 107.344 108.800 -0.280 0.000 2.422 445 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 445 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 445 G C 1.573 176.357 174.900 -0.195 0.000 1.146 445 G CA 0.710 45.680 45.100 -0.217 0.000 0.769 445 G HN 0.618 nan 8.290 nan 0.000 0.547 446 A N 0.988 123.702 122.820 -0.176 0.000 1.929 446 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 446 A C 2.752 180.264 177.584 -0.120 0.000 1.176 446 A CA 1.927 53.880 52.037 -0.140 0.000 0.628 446 A CB -0.568 18.368 19.000 -0.106 0.000 0.816 446 A HN 0.667 nan 8.150 nan 0.000 0.444 447 A N -0.480 122.243 122.820 -0.163 0.000 1.930 447 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 447 A C 2.188 179.778 177.584 0.010 0.000 1.175 447 A CA 1.572 53.543 52.037 -0.110 0.000 0.627 447 A CB -0.807 17.974 19.000 -0.364 0.000 0.815 447 A HN 0.331 nan 8.150 nan 0.000 0.443 448 V N 0.210 120.069 119.914 -0.092 0.000 2.255 448 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 448 V C 2.582 178.702 176.094 0.044 0.000 1.051 448 V CA 2.114 64.399 62.300 -0.025 0.000 1.018 448 V CB -0.826 30.879 31.823 -0.196 0.000 0.641 448 V HN 0.574 nan 8.190 nan 0.000 0.445 449 L N -0.043 121.105 121.223 -0.125 0.000 2.017 449 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 449 L C 2.744 179.570 176.870 -0.074 0.000 1.073 449 L CA 1.596 56.304 54.840 -0.220 0.000 0.745 449 L CB -0.845 41.022 42.059 -0.320 0.000 0.894 449 L HN 0.351 nan 8.230 nan 0.000 0.432 450 A N 0.373 123.174 122.820 -0.031 0.000 1.877 450 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 450 A C 2.419 179.996 177.584 -0.011 0.000 1.186 450 A CA 1.839 53.872 52.037 -0.007 0.000 0.620 450 A CB -1.395 17.602 19.000 -0.005 0.000 0.822 450 A HN 0.440 nan 8.150 nan 0.000 0.443 451 G N -0.275 108.533 108.800 0.014 0.000 2.440 451 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 451 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 451 G C 1.565 176.406 174.900 -0.098 0.000 1.154 451 G CA 1.050 46.039 45.100 -0.186 0.000 0.767 451 G HN 0.427 nan 8.290 nan 0.000 0.552 452 L N 0.115 121.446 121.223 0.181 0.000 2.083 452 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 452 L C 2.790 179.692 176.870 0.053 0.000 1.083 452 L CA 1.493 56.441 54.840 0.181 0.000 0.752 452 L CB -0.241 41.937 42.059 0.198 0.000 0.899 452 L HN 0.282 nan 8.230 nan 0.000 0.433 453 E N 0.261 120.468 120.200 0.011 0.000 2.150 453 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 453 E C 1.600 178.185 176.600 -0.026 0.000 0.985 453 E CA 1.361 57.757 56.400 -0.007 0.000 0.814 453 E CB 0.078 29.773 29.700 -0.008 0.000 0.752 453 E HN 0.362 nan 8.360 nan 0.000 0.466 454 V N -2.174 117.709 119.914 -0.053 0.000 3.342 454 V HA 0.294 4.414 4.120 -0.000 0.000 0.322 454 V C -0.201 175.834 176.094 -0.100 0.000 1.370 454 V CA -0.216 62.041 62.300 -0.071 0.000 1.170 454 V CB -0.412 31.365 31.823 -0.078 0.000 1.101 454 V HN 0.091 nan 8.190 nan 0.000 0.442 455 K N -0.227 120.120 120.400 -0.088 0.000 3.117 455 K HA -0.217 4.103 4.320 -0.000 0.000 0.269 455 K C 0.752 177.247 176.600 -0.175 0.000 1.098 455 K CA 1.106 57.345 56.287 -0.079 0.000 0.785 455 K CB -2.576 29.894 32.500 -0.050 0.000 1.242 455 K HN 0.614 nan 8.250 nan 0.000 0.491 456 I N -1.027 119.320 120.570 -0.371 0.000 2.226 456 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 456 I C 1.141 176.869 176.117 -0.648 0.000 1.100 456 I CA 1.555 62.444 61.300 -0.686 0.000 1.374 456 I CB -0.077 37.151 38.000 -1.288 0.000 1.057 456 I HN 0.204 nan 8.210 nan 0.000 0.413 457 W N 0.375 121.670 121.300 -0.008 0.000 2.799 457 W HA 0.250 4.910 4.660 -0.000 0.000 0.349 457 W C 0.721 177.233 176.519 -0.010 0.000 1.100 457 W CA -0.798 56.542 57.345 -0.008 0.000 1.174 457 W CB 0.346 29.800 29.460 -0.011 0.000 1.427 457 W HN -0.099 nan 8.180 nan 0.000 0.547 458 D N 0.876 121.403 120.400 0.213 0.000 2.117 458 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 458 D C 0.896 177.258 176.300 0.102 0.000 0.982 458 D CA 1.665 55.733 54.000 0.112 0.000 0.828 458 D CB 0.324 41.170 40.800 0.077 0.000 0.967 458 D HN 0.227 nan 8.370 nan 0.000 0.464 459 S N -1.259 114.509 115.700 0.115 0.000 2.565 459 S HA 0.234 4.704 4.470 -0.000 0.000 0.269 459 S C 0.343 174.953 174.600 0.016 0.000 1.153 459 S CA -0.833 57.394 58.200 0.045 0.000 0.835 459 S CB 1.669 64.867 63.200 -0.004 0.000 1.122 459 S HN -0.066 nan 8.310 nan 0.000 0.462 460 L N 1.342 122.532 121.223 -0.056 0.000 2.127 460 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 460 L C 1.747 178.520 176.870 -0.162 0.000 1.089 460 L CA 2.104 56.851 54.840 -0.154 0.000 0.757 460 L CB -0.985 40.865 42.059 -0.349 0.000 0.899 460 L HN 0.841 nan 8.230 nan 0.000 0.434 461 D N -1.129 119.197 120.400 -0.123 0.000 2.219 461 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 461 D C 2.108 178.367 176.300 -0.068 0.000 0.970 461 D CA 1.402 55.348 54.000 -0.090 0.000 0.851 461 D CB 0.072 40.830 40.800 -0.070 0.000 0.943 461 D HN 0.509 nan 8.370 nan 0.000 0.488 462 S N 0.392 116.056 115.700 -0.060 0.000 2.474 462 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 462 S C 2.161 176.668 174.600 -0.155 0.000 0.997 462 S CA 0.804 58.969 58.200 -0.058 0.000 0.949 462 S CB -0.233 62.978 63.200 0.018 0.000 0.766 462 S HN 0.304 nan 8.310 nan 0.000 0.517 463 V N -1.650 118.119 119.914 -0.242 0.000 3.661 463 V HA 0.279 4.399 4.120 -0.000 0.000 0.271 463 V C 1.721 177.709 176.094 -0.176 0.000 1.315 463 V CA -0.110 61.983 62.300 -0.345 0.000 1.072 463 V CB -0.430 30.986 31.823 -0.678 0.000 0.830 463 V HN 0.197 nan 8.190 nan 0.000 0.443 464 K N 1.776 122.126 120.400 -0.084 0.000 2.057 464 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 464 K C 2.469 179.075 176.600 0.009 0.000 1.049 464 K CA 1.787 58.082 56.287 0.013 0.000 0.931 464 K CB -0.376 32.164 32.500 0.067 0.000 0.714 464 K HN 0.565 nan 8.250 nan 0.000 0.440 465 S N 1.564 117.263 115.700 -0.003 0.000 2.368 465 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 465 S C 2.029 176.648 174.600 0.033 0.000 1.030 465 S CA 0.649 58.858 58.200 0.014 0.000 0.999 465 S CB -0.251 62.955 63.200 0.008 0.000 0.844 465 S HN 0.267 nan 8.310 nan 0.000 0.459 466 L N 0.765 122.003 121.223 0.025 0.000 1.997 466 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 466 L C 2.464 179.444 176.870 0.184 0.000 1.074 466 L CA 1.906 56.797 54.840 0.085 0.000 0.763 466 L CB -0.400 41.665 42.059 0.009 0.000 0.890 466 L HN 0.426 nan 8.230 nan 0.000 0.434 467 L N -1.012 120.233 121.223 0.037 0.000 2.056 467 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 467 L C 2.399 179.332 176.870 0.104 0.000 1.078 467 L CA 1.124 55.956 54.840 -0.014 0.000 0.749 467 L CB -0.496 41.483 42.059 -0.132 0.000 0.901 467 L HN 0.186 nan 8.230 nan 0.000 0.433 468 R N 0.159 120.697 120.500 0.064 0.000 2.369 468 R HA -0.014 4.326 4.340 -0.000 0.000 0.200 468 R C 0.350 176.695 176.300 0.074 0.000 1.046 468 R CA 0.050 56.180 56.100 0.050 0.000 1.057 468 R CB -0.371 29.944 30.300 0.025 0.000 0.888 468 R HN 0.345 nan 8.270 nan 0.000 0.474 469 R N 1.106 121.680 120.500 0.122 0.000 2.590 469 R HA 0.048 4.388 4.340 -0.000 0.000 0.274 469 R C 0.219 176.544 176.300 0.041 0.000 1.061 469 R CA 0.386 56.520 56.100 0.056 0.000 1.081 469 R CB 0.789 31.088 30.300 -0.002 0.000 0.984 469 R HN 0.096 nan 8.270 nan 0.000 0.448 470 S N -0.200 115.503 115.700 0.006 0.000 2.570 470 S HA 0.248 4.718 4.470 -0.000 0.000 0.286 470 S C -0.213 174.376 174.600 -0.019 0.000 1.099 470 S CA -0.868 57.335 58.200 0.005 0.000 0.913 470 S CB 2.063 65.269 63.200 0.009 0.000 1.085 470 S HN 0.727 nan 8.310 nan 0.000 0.480 471 D N -0.026 120.366 120.400 -0.014 0.000 2.500 471 D HA 0.424 5.064 4.640 -0.000 0.000 0.217 471 D C 0.167 176.446 176.300 -0.034 0.000 1.159 471 D CA 0.136 54.121 54.000 -0.025 0.000 0.828 471 D CB 0.581 41.366 40.800 -0.025 0.000 1.039 471 D HN 0.849 nan 8.370 nan 0.000 0.512 472 A N -0.197 122.600 122.820 -0.038 0.000 2.594 472 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 472 A C -1.745 175.750 177.584 -0.147 0.000 1.061 472 A CA -0.634 51.334 52.037 -0.115 0.000 0.689 472 A CB 1.893 20.863 19.000 -0.049 0.000 1.280 472 A HN 0.023 nan 8.150 nan 0.000 0.406 473 V N 1.211 120.913 119.914 -0.354 0.000 2.760 473 V HA 0.688 4.808 4.120 -0.000 0.000 0.309 473 V C -1.399 174.264 176.094 -0.718 0.000 1.077 473 V CA -0.375 61.712 62.300 -0.356 0.000 0.910 473 V CB 1.662 33.329 31.823 -0.260 0.000 1.008 473 V HN 0.742 nan 8.190 nan 0.000 0.424 474 F N 3.004 122.805 119.950 -0.248 0.000 2.520 474 F HA 0.661 5.188 4.527 -0.000 0.000 0.322 474 F C 0.371 175.970 175.800 -0.335 0.000 1.103 474 F CA -0.485 57.392 58.000 -0.205 0.000 0.926 474 F CB 1.684 40.608 39.000 -0.126 0.000 1.154 474 F HN 0.462 nan 8.300 nan 0.000 0.453 475 H N 0.014 119.142 119.070 0.098 0.000 2.731 475 H HA 0.300 4.856 4.556 -0.000 0.000 0.368 475 H C -0.632 174.721 175.328 0.041 0.000 1.168 475 H CA -0.982 55.096 56.048 0.050 0.000 1.181 475 H CB 2.252 32.022 29.762 0.013 0.000 1.743 475 H HN 0.512 nan 8.280 nan 0.000 0.547 476 S N 0.448 116.226 115.700 0.130 0.000 2.549 476 S HA 0.020 4.490 4.470 -0.000 0.000 0.283 476 S C 0.693 175.323 174.600 0.050 0.000 1.320 476 S CA -0.223 58.005 58.200 0.047 0.000 1.058 476 S CB 0.189 63.390 63.200 0.002 0.000 0.882 476 S HN 0.595 nan 8.310 nan 0.000 0.498 477 K N 3.357 123.774 120.400 0.030 0.000 2.438 477 K HA 0.246 4.566 4.320 -0.000 0.000 0.205 477 K C 0.010 176.615 176.600 0.009 0.000 1.033 477 K CA -0.077 56.225 56.287 0.026 0.000 1.089 477 K CB 0.461 32.987 32.500 0.043 0.000 0.857 477 K HN 0.619 nan 8.250 nan 0.000 0.522 478 M N 1.554 121.147 119.600 -0.011 0.000 2.364 478 M HA 0.189 4.669 4.480 -0.000 0.000 0.334 478 M C -1.007 175.284 176.300 -0.015 0.000 1.107 478 M CA -0.607 54.681 55.300 -0.019 0.000 0.988 478 M CB 1.479 34.042 32.600 -0.061 0.000 1.673 478 M HN -0.085 nan 8.290 nan 0.000 0.441 479 D N 2.454 122.853 120.400 -0.003 0.000 2.423 479 D HA -0.036 4.604 4.640 -0.000 0.000 0.238 479 D C 0.443 176.742 176.300 -0.002 0.000 1.142 479 D CA 0.646 54.647 54.000 0.001 0.000 0.884 479 D CB 1.033 41.840 40.800 0.010 0.000 1.199 479 D HN 0.727 nan 8.370 nan 0.000 0.438 480 D N 1.602 122.002 120.400 -0.000 0.000 2.218 480 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 480 D C 1.437 177.742 176.300 0.009 0.000 0.976 480 D CA 1.229 55.229 54.000 0.001 0.000 0.853 480 D CB 0.294 41.095 40.800 0.001 0.000 0.939 480 D HN 0.342 nan 8.370 nan 0.000 0.481 481 K N -0.039 120.368 120.400 0.012 0.000 2.026 481 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 481 K C 2.101 178.717 176.600 0.027 0.000 1.048 481 K CA 1.093 57.392 56.287 0.018 0.000 0.929 481 K CB -0.054 32.456 32.500 0.018 0.000 0.713 481 K HN 0.025 nan 8.250 nan 0.000 0.439 482 K N 1.204 121.621 120.400 0.027 0.000 2.057 482 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 482 K C 2.263 178.891 176.600 0.047 0.000 1.050 482 K CA 1.147 57.458 56.287 0.040 0.000 0.935 482 K CB 0.020 32.543 32.500 0.038 0.000 0.715 482 K HN -0.024 nan 8.250 nan 0.000 0.439 483 R N 0.510 121.023 120.500 0.022 0.000 2.073 483 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 483 R C 1.804 178.138 176.300 0.056 0.000 1.134 483 R CA 1.683 57.793 56.100 0.017 0.000 0.952 483 R CB -0.013 30.275 30.300 -0.021 0.000 0.850 483 R HN -0.045 nan 8.270 nan 0.000 0.433 484 K N 0.934 121.360 120.400 0.043 0.000 2.097 484 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 484 K C 1.896 178.531 176.600 0.058 0.000 1.049 484 K CA 1.526 57.841 56.287 0.047 0.000 0.933 484 K CB -0.201 32.317 32.500 0.030 0.000 0.717 484 K HN 0.161 nan 8.250 nan 0.000 0.442 485 K N 0.863 121.298 120.400 0.059 0.000 2.025 485 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 485 K C 1.776 178.429 176.600 0.089 0.000 1.049 485 K CA 1.493 57.817 56.287 0.061 0.000 0.933 485 K CB 0.040 32.575 32.500 0.058 0.000 0.714 485 K HN -0.034 nan 8.250 nan 0.000 0.438 486 K N -0.133 120.352 120.400 0.142 0.000 2.057 486 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 486 K C 2.222 178.939 176.600 0.194 0.000 1.049 486 K CA 1.947 58.378 56.287 0.240 0.000 0.931 486 K CB -0.235 32.492 32.500 0.378 0.000 0.714 486 K HN 0.458 nan 8.250 nan 0.000 0.440 487 T N -1.421 113.259 114.554 0.211 0.000 2.867 487 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 487 T C 2.125 176.873 174.700 0.079 0.000 1.057 487 T CA 1.556 63.758 62.100 0.169 0.000 1.136 487 T CB -0.176 68.810 68.868 0.196 0.000 0.874 487 T HN 0.094 nan 8.240 nan 0.000 0.466 488 S N 1.417 117.148 115.700 0.051 0.000 2.368 488 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 488 S C 2.053 176.627 174.600 -0.042 0.000 1.030 488 S CA 1.568 59.771 58.200 0.004 0.000 0.999 488 S CB -0.516 62.688 63.200 0.006 0.000 0.844 488 S HN 0.721 nan 8.310 nan 0.000 0.459 489 E N 0.358 120.537 120.200 -0.034 0.000 2.051 489 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 489 E C 1.825 178.342 176.600 -0.138 0.000 0.991 489 E CA 1.360 57.720 56.400 -0.066 0.000 0.799 489 E CB -0.414 29.282 29.700 -0.008 0.000 0.748 489 E HN 0.781 nan 8.360 nan 0.000 0.449 490 W N 2.080 123.113 121.300 -0.445 0.000 2.335 490 W HA -0.221 4.439 4.660 0.000 0.000 0.311 490 W C 1.423 177.750 176.519 -0.320 0.000 1.213 490 W CA 1.304 58.309 57.345 -0.567 0.000 1.274 490 W CB -0.280 28.493 29.460 -1.146 0.000 1.148 490 W HN 0.065 nan 8.180 nan 0.000 0.498 491 N N 0.825 119.369 118.700 -0.260 0.000 2.166 491 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 491 N C 1.672 176.986 175.510 -0.327 0.000 1.019 491 N CA 1.839 54.721 53.050 -0.281 0.000 0.856 491 N CB -0.595 37.845 38.487 -0.079 0.000 0.993 491 N HN 0.323 nan 8.380 nan 0.000 0.426 492 K N 0.497 120.728 120.400 -0.282 0.000 2.103 492 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 492 K C 2.024 178.372 176.600 -0.421 0.000 1.052 492 K CA 0.966 57.083 56.287 -0.283 0.000 0.945 492 K CB -0.058 32.311 32.500 -0.218 0.000 0.722 492 K HN 0.103 nan 8.250 nan 0.000 0.443 493 A N 1.190 123.689 122.820 -0.535 0.000 1.902 493 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 493 A C 2.357 179.553 177.584 -0.647 0.000 1.181 493 A CA 1.294 52.869 52.037 -0.769 0.000 0.623 493 A CB -0.612 18.032 19.000 -0.594 0.000 0.818 493 A HN 0.056 nan 8.150 nan 0.000 0.443 494 V N 0.003 119.495 119.914 -0.703 0.000 2.407 494 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 494 V C 2.484 178.380 176.094 -0.329 0.000 1.055 494 V CA 2.298 64.265 62.300 -0.556 0.000 1.049 494 V CB -0.739 30.679 31.823 -0.674 0.000 0.662 494 V HN 0.768 nan 8.190 nan 0.000 0.455 495 E N 0.276 120.289 120.200 -0.312 0.000 2.051 495 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 495 E C 2.483 178.970 176.600 -0.188 0.000 0.991 495 E CA 1.318 57.594 56.400 -0.207 0.000 0.799 495 E CB -0.065 29.526 29.700 -0.183 0.000 0.748 495 E HN 0.514 nan 8.360 nan 0.000 0.449 496 R N -0.384 119.962 120.500 -0.257 0.000 2.091 496 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 496 R C 2.414 178.670 176.300 -0.075 0.000 1.136 496 R CA 1.881 57.859 56.100 -0.203 0.000 0.959 496 R CB -0.432 29.638 30.300 -0.382 0.000 0.856 496 R HN 0.202 nan 8.270 nan 0.000 0.437 497 T N 0.983 115.494 114.554 -0.071 0.000 2.867 497 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 497 T C 1.715 176.390 174.700 -0.041 0.000 1.057 497 T CA 0.871 62.975 62.100 0.006 0.000 1.136 497 T CB 0.088 68.946 68.868 -0.017 0.000 0.874 497 T HN 0.155 nan 8.240 nan 0.000 0.466 498 L N -0.238 120.942 121.223 -0.071 0.000 2.515 498 L HA 0.438 4.778 4.340 -0.000 0.000 0.223 498 L C 0.957 177.799 176.870 -0.047 0.000 1.079 498 L CA -0.222 54.583 54.840 -0.058 0.000 0.857 498 L CB 0.132 42.148 42.059 -0.070 0.000 1.050 498 L HN 0.238 nan 8.230 nan 0.000 0.476 499 I N 1.455 121.993 120.570 -0.053 0.000 2.775 499 I HA -0.106 4.064 4.170 -0.000 0.000 0.290 499 I C 0.132 176.232 176.117 -0.029 0.000 1.203 499 I CA 0.077 61.350 61.300 -0.044 0.000 1.433 499 I CB 0.451 38.419 38.000 -0.052 0.000 1.354 499 I HN 0.153 nan 8.210 nan 0.000 0.579 500 Q N 7.967 127.752 119.800 -0.024 0.000 2.296 500 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 500 Q C -0.753 175.238 176.000 -0.016 0.000 0.942 500 Q CA -0.106 55.688 55.803 -0.016 0.000 0.939 500 Q CB 1.579 30.310 28.738 -0.013 0.000 1.198 500 Q HN 0.593 nan 8.270 nan 0.000 0.429 501 L N 0.000 121.215 121.223 -0.013 0.000 2.949 501 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 501 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 501 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 501 L HN 0.000 nan 8.230 nan 0.000 0.502